2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide

C26H23ClN2O — CID 7535435

IUPAC2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1
InChIInChI=1S/C26H23ClN2O/c1-3-18-8-10-19(11-9-18)17-29(2)26(30)23-16-25(20-12-14-21(27)15-13-20)28-24-7-5-4-6-22(23)24/h4-16H,3,17H2,1-2H3
InChIKeyCAJZKIKBPGDODI-UHFFFAOYSA-N
MW414.94 g/mol
LogP6.39
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide

2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide (PubChem CID 7535435) has the molecular formula C26H23ClN2O and a molecular weight of 414.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
PubChem CID7535435
Molecular FormulaC26H23ClN2O
Molecular Weight414.94 g/mol
Exact Mass414.15
IUPAC Name2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1
InChIInChI=1S/C26H23ClN2O/c1-3-18-8-10-19(11-9-18)17-29(2)26(30)23-16-25(20-12-14-21(27)15-13-20)28-24-7-5-4-6-22(23)24/h4-16H,3,17H2,1-2H3
InChIKeyCAJZKIKBPGDODI-UHFFFAOYSA-N
XLogP6.39
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.94
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-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

2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 7535473
N-[(4-chlorophenyl)methyl]-N-methyl-2-phenyl-1,6-naphthyridine-4-carboxamide
CID 140502967
2-(4-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 164767183
N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide
CID 995912
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 8964759
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 3471977
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-[2-(4-chlorophenyl)ethyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid
CID 110077137
2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 17472100
(3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate
CID 126188190
2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one
CID 145465198

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide (CID 7535435) is 2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide is CCc1ccc(CN(C)C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide?
The InChIKey is CAJZKIKBPGDODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O/c1-3-18-8-10-19(11-9-18)17-29(2)26(30)23-16-25(20-12-14-21(27)15-13-20)28-24-7-5-4-6-22(23)24/h4-16H,3,17H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide has a molecular weight of 414.94 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 7535435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).