3,4-dichloro-N-[4-[(6,7-dimethoxy-2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)methyl]phenyl]benzamide

C27H23Cl2N3O3 — CID 155805189

IUPAC3,4-dichloro-N-[4-[(6,7-dimethoxy-2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)methyl]phenyl]benzamide
SMILESCOc1cc2cc3c(nc2cc1OC)CCN3Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C27H23Cl2N3O3/c1-34-25-13-18-12-24-22(31-23(18)14-26(25)35-2)9-10-32(24)15-16-3-6-19(7-4-16)30-27(33)17-5-8-20(28)21(29)11-17/h3-8,11-14H,9-10,15H2,1-2H3,(H,30,33)
InChIKeyQPZZTRKNBZYXNQ-UHFFFAOYSA-N
MW508.41 g/mol
LogP6.37
Rot. Bonds6

About 3,4-dichloro-N-[4-[(6,7-dimethoxy-2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)methyl]phenyl]benzamide

3,4-dichloro-N-[4-[(6,7-dimethoxy-2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)methyl]phenyl]benzamide (PubChem CID 155805189) has the molecular formula C27H23Cl2N3O3 and a molecular weight of 508.41 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-[(6,7-dimethoxy-2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-[(6,7-dimethoxy-2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)methyl]phenyl]benzamide
PubChem CID155805189
Molecular FormulaC27H23Cl2N3O3
Molecular Weight508.41 g/mol
Exact Mass507.11
IUPAC Name3,4-dichloro-N-[4-[(6,7-dimethoxy-2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)methyl]phenyl]benzamide
SMILESCOc1cc2cc3c(nc2cc1OC)CCN3Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C27H23Cl2N3O3/c1-34-25-13-18-12-24-22(31-23(18)14-26(25)35-2)9-10-32(24)15-16-3-6-19(7-4-16)30-27(33)17-5-8-20(28)21(29)11-17/h3-8,11-14H,9-10,15H2,1-2H3,(H,30,33)
InChIKeyQPZZTRKNBZYXNQ-UHFFFAOYSA-N
XLogP6.37
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.41
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dichloro-N-[4-[(6,7-dimethoxy-2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)methyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[4-[(6,7-dimethoxy-2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 155811442
2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16776960
3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 17445967
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-fluoro-4-methoxybenzamide
CID 86982054
N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99955766
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
3,4-dichloro-N-[4-(methylaminomethyl)phenyl]benzamide
CID 71019742
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide
CID 155705982
3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 674696

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-[(6,7-dimethoxy-2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-[(6,7-dimethoxy-2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)methyl]phenyl]benzamide (CID 155805189) is 3,4-dichloro-N-[4-[(6,7-dimethoxy-2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-[(6,7-dimethoxy-2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-[(6,7-dimethoxy-2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)methyl]phenyl]benzamide is COc1cc2cc3c(nc2cc1OC)CCN3Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3,4-dichloro-N-[4-[(6,7-dimethoxy-2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)methyl]phenyl]benzamide?
The InChIKey is QPZZTRKNBZYXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2N3O3/c1-34-25-13-18-12-24-22(31-23(18)14-26(25)35-2)9-10-32(24)15-16-3-6-19(7-4-16)30-27(33)17-5-8-20(28)21(29)11-17/h3-8,11-14H,9-10,15H2,1-2H3,(H,30,33).
What are the key properties of 3,4-dichloro-N-[4-[(6,7-dimethoxy-2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)methyl]phenyl]benzamide?
3,4-dichloro-N-[4-[(6,7-dimethoxy-2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)methyl]phenyl]benzamide has a molecular weight of 508.41 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-[(6,7-dimethoxy-2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 155805189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).