2-chloro-N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide

C25H22Cl2N2O4 — CID 134278669

IUPAC2-chloro-N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)c3ccc(Cl)cc32)cc1OC
InChIInChI=1S/C25H22Cl2N2O4/c1-32-22-10-7-15(13-23(22)33-2)25(31)29-12-11-20(18-9-8-16(26)14-21(18)29)28-24(30)17-5-3-4-6-19(17)27/h3-10,13-14,20H,11-12H2,1-2H3,(H,28,30)
InChIKeyVTGGRIZFDBXPGZ-UHFFFAOYSA-N
MW485.37 g/mol
LogP5.53
Rot. Bonds5

About 2-chloro-N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide

2-chloro-N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide (PubChem CID 134278669) has the molecular formula C25H22Cl2N2O4 and a molecular weight of 485.37 g/mol. Its IUPAC name is 2-chloro-N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide
PubChem CID134278669
Molecular FormulaC25H22Cl2N2O4
Molecular Weight485.37 g/mol
Exact Mass484.10
IUPAC Name2-chloro-N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)c3ccc(Cl)cc32)cc1OC
InChIInChI=1S/C25H22Cl2N2O4/c1-32-22-10-7-15(13-23(22)33-2)25(31)29-12-11-20(18-9-8-16(26)14-21(18)29)28-24(30)17-5-3-4-6-19(17)27/h3-10,13-14,20H,11-12H2,1-2H3,(H,28,30)
InChIKeyVTGGRIZFDBXPGZ-UHFFFAOYSA-N
XLogP5.53
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.37
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]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

2-chloro-N-[(3S,4R)-1-(3,4-dimethoxybenzoyl)-3-phenylpiperidin-4-yl]benzamide
CID 134278801
N-{[1-(4-chlorophenyl)piperidin-4-yl]methyl}-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 11157065
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-phenylpiperidin-4-yl)methyl]benzamide
CID 11260802
N-{[1-(3-cyanophenyl)piperidin-4-yl]methyl}-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 11444061
3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-1H-quinazoline-2,4-dione
CID 4322106
4-[4-(3-Chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-(2-methylpropyl)-1,2-dihydroisoquinolin-1-one
CID 5322756
4-[4-(3-Chlorophenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxy-1,2-dihydroisoquinolin-1-one
CID 9551517
[7-chloro-4-(4-chloroanilino)-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 12044873
2-chloro-N-[(3R,4S)-1-(3,4-dimethoxybenzoyl)-3-phenylpiperidin-4-yl]benzamide
CID 134278129
2-chloro-N-[(3R,4R)-1-(3,4-dimethoxybenzoyl)-3-phenylpiperidin-4-yl]benzamide
CID 134278876
2-chloro-N-[1-(3,4-dimethoxybenzoyl)-3-phenylpiperidin-4-yl]benzamide
CID 134278878
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(4-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide
CID 15989331

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide (CID 134278669) is 2-chloro-N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide is COc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)c3ccc(Cl)cc32)cc1OC.
What is the InChIKey of 2-chloro-N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide?
The InChIKey is VTGGRIZFDBXPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N2O4/c1-32-22-10-7-15(13-23(22)33-2)25(31)29-12-11-20(18-9-8-16(26)14-21(18)29)28-24(30)17-5-3-4-6-19(17)27/h3-10,13-14,20H,11-12H2,1-2H3,(H,28,30).
What are the key properties of 2-chloro-N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide?
2-chloro-N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide has a molecular weight of 485.37 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide is sourced from PubChem (CID 134278669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).