6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide

C23H16Cl2N2O — CID 4632644

IUPAC6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C23H16Cl2N2O/c24-17-8-6-15(7-9-17)14-26-23(28)20-13-22(16-4-2-1-3-5-16)27-21-11-10-18(25)12-19(20)21/h1-13H,14H2,(H,26,28)
InChIKeyGLCCALVTVATQPC-UHFFFAOYSA-N
MW407.30 g/mol
LogP6.14
Rot. Bonds4

About 6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide

6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide (PubChem CID 4632644) has the molecular formula C23H16Cl2N2O and a molecular weight of 407.30 g/mol. Its IUPAC name is 6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide
PubChem CID4632644
Molecular FormulaC23H16Cl2N2O
Molecular Weight407.30 g/mol
Exact Mass406.06
IUPAC Name6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C23H16Cl2N2O/c24-17-8-6-15(7-9-17)14-26-23(28)20-13-22(16-4-2-1-3-5-16)27-21-11-10-18(25)12-19(20)21/h1-13H,14H2,(H,26,28)
InChIKeyGLCCALVTVATQPC-UHFFFAOYSA-N
XLogP6.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.30
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide 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

6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798226
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4162780
2-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]quinoline-4-carboxamide
CID 3540757
2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1212425
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647542
2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 4304622
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide
CID 136993193
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376
N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50793889

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide (CID 4632644) is 6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is GLCCALVTVATQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O/c24-17-8-6-15(7-9-17)14-26-23(28)20-13-22(16-4-2-1-3-5-16)27-21-11-10-18(25)12-19(20)21/h1-13H,14H2,(H,26,28).
What are the key properties of 6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide?
6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 407.30 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 4632644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).