1-{4-(tert-butoxycarbonylamino)phenylcarbonyl}isoquinolin-4-ylcarboxylic acid | 1233249-37-0
分子结构分类
中文名称
——
中文别名
——
英文名称
1-{4-(tert-butoxycarbonylamino)phenylcarbonyl}isoquinolin-4-ylcarboxylic acid
英文别名
1-({4-[(tert-butoxycarbonyl)amino]phenyl}carbonyl)isoquinoline-4-carboxylic acid；1-[4-[(2-Methylpropan-2-yl)oxycarbonylamino]benzoyl]isoquinoline-4-carboxylic acid
CAS
1233249-37-0
化学式
C22H20N2O5
mdl
——
分子量
392.411
InChiKey
CDAVXTZIZRZGEV-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
计算性质
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辛醇/水分配系数(LogP)：3.9
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重原子数：29
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可旋转键数：6
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环数：3.0
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sp3杂化的碳原子比例：0.18
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拓扑面积：106
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氢给体数：2
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氢受体数：6
上下游信息
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上游原料
中文名称 英文名称 CAS号 化学式 分子量 —— methyl 1-{4-(tert-butoxycarbonylamino)phenylcarbonyl}isoquinolin-4-ylcarboxylate 1233249-36-9 C23H22N2O5 406.438 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— [1-({4-[(tert-butoxycarbonyl)amino]phenyl}carbonyl)isoquinolin-4-yl] acetic acid 1233246-59-7 C23H22N2O5 406.438 —— 2-[1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]isoquinolin-4-yl]acetic acid 1233249-38-1 C24H24N2O5 420.465 —— 2-[1-(4-acetamidobenzoyl)isoquinolin-4-yl]acetic acid 1233246-91-7 C20H16N2O4 348.358 —— 2-[1-[4-[(3,4-dichlorophenyl)methoxycarbonylamino]benzoyl]isoquinolin-4-yl]acetic acid 1233248-07-1 C26H18Cl2N2O5 509.345 —— methyl 2-(1-(4-acetamidobenzoyl)isoquinolin-4-yl)acetate 1374249-72-5 C21H18N2O4 362.385 —— methyl [1-({4-[(phenoxycarbonyl)amino]phenyl}carbonyl)isoquinolin-4-yl]acetate 1233249-48-3 C26H20N2O5 440.455 —— 2-[1-[4-(cyclopropanecarbonylamino)benzoyl]isoquinolin-4-yl]acetic acid 1233246-92-8 C22H18N2O4 374.396 —— methyl 1-[4-(aminophenyl)carbonyl]isoquinolin-4-ylacetate 1233249-39-2 C19H16N2O3 320.348 —— 2-[1-(4-benzamidobenzoyl)isoquinolin-4-yl]acetic acid 1233247-10-3 C25H18N2O4 410.429 —— 2-[1-[4-(pyridine-4-carbonylamino)benzoyl]isoquinolin-4-yl]acetic acid 1233247-23-8 C24H17N3O4 411.417 —— 2-[1-[4-[(2-cyclohexylacetyl)amino]benzoyl]isoquinolin-4-yl]acetic acid 1233246-93-9 C26H26N2O4 430.503 —— 2-[1-[4-[(4-methylbenzoyl)amino]benzoyl]isoquinolin-4-yl]acetic acid 1233246-88-2 C26H20N2O4 424.456 —— methyl 2-(1-(4-benzamidobenzoyl)isoquinolin-4-yl)acetate 1374249-73-6 C26H20N2O4 424.456 —— 2-[1-[4-(naphthalene-2-carbonylamino)benzoyl]isoquinolin-4-yl]acetic acid 1233246-83-7 C29H20N2O4 460.489 —— [1-({4-[(cyclohexylcarbonyl)amino]phenyl}carbonyl)isoquinolin-4-yl]acetic acid 1233247-49-8 C25H24N2O4 416.477 —— methyl 2-(1-(4-(isonicotinamido)benzoyl)isoquinolin-4-yl)acetate 1374249-77-0 C25H19N3O4 425.444 —— methyl 2-(1-(4-(2-naphthamido)benzoyl)isoquinolin-4-yl)acetate 1374249-75-8 C30H22N2O4 474.516 —— methyl 2-(1-(4-(cyclohexanecarboxamido)benzoyl)isoquinolin-4-yl)acetate 1374249-74-7 C26H26N2O4 430.503 —— 2-[1-[4-(naphthalene-1-carbonylamino)benzoyl]isoquinolin-4-yl]acetic acid 1233247-18-1 C29H20N2O4 460.489 —— 2-[1-[4-[(4-chlorobenzoyl)amino]benzoyl]isoquinolin-4-yl]acetic acid 1233247-01-2 C25H17ClN2O4 444.874 —— 2-[1-[4-[[2-(1-adamantyl)acetyl]amino]benzoyl]isoquinolin-4-yl]acetic acid 1233247-25-0 C30H30N2O4 482.579 —— 2-[1-[4-[[4-(dimethylamino)benzoyl]amino]benzoyl]isoquinolin-4-yl]acetic acid 1233246-80-4 C27H23N3O4 453.497 —— 2-[1-[4-(oxane-4-carbonylamino)benzoyl]isoquinolin-4-yl]acetic acid 1233247-57-8 C24H22N2O5 418.449 —— 2-[1-[4-[(4-cyanobenzoyl)amino]benzoyl]isoquinolin-4-yl]acetic acid 1233246-82-6 C26H17N3O4 435.439 —— methyl 2-(1-(4-(4-chlorobenzamido)benzoyl)isoquinolin-4-yl)acetate 1374249-81-6 C26H19ClN2O4 458.901 —— 2-[1-[4-[(3,4-dichlorophenyl)carbamoylamino]benzoyl]isoquinolin-4-yl]acetic acid 1233248-06-0 C25H17Cl2N3O4 494.334 —— 2-[1-[4-[(3,4-dichlorophenyl)methylamino]benzoyl]isoquinolin-4-yl]acetic acid 1233248-09-3 C25H18Cl2N2O3 465.336 —— 2-[1-[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]isoquinolin-4-yl]acetic acid 1233246-78-0 C26H17F3N2O4 478.427 —— 2-[1-[4-[3-(3,4-dichlorophenyl)propanoylamino]benzoyl]isoquinolin-4-yl]acetic acid 1233246-64-4 C27H20Cl2N2O4 507.373 —— 2-[1-[4-[(4-phenylbenzoyl)amino]benzoyl]isoquinolin-4-yl]acetic acid 1233246-76-8 C31H22N2O4 486.527 —— methyl {1-[(4-{[(3,4-dichlorophenyl)carbamoyl]amino}phenyl)carbonyl]isoquinolin-4-yl}acetate 1233249-47-2 C26H19Cl2N3O4 508.361 —— 2-[1-[4-[(4-methoxybenzoyl)amino]benzoyl]isoquinolin-4-yl]acetic acid 1233246-70-2 C26H20N2O5 440.455 —— methyl 2-(1-(4-(3-(3,4-dichlorophenyl)propanamido)benzoyl)isoquinolin-4-yl)acetate 1374249-85-0 C28H22Cl2N2O4