N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide

C21H21ClN2O — CID 3625064

IUPACN-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccccc2Cl)nc2ccc(C)cc12
InChIInChI=1S/C21H21ClN2O/c1-3-4-11-23-21(25)17-13-20(15-7-5-6-8-18(15)22)24-19-10-9-14(2)12-16(17)19/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25)
InChIKeyPXQKPOCZFJAZFK-UHFFFAOYSA-N
MW352.87 g/mol
LogP5.39
Rot. Bonds5

About N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide

N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide (PubChem CID 3625064) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide
PubChem CID3625064
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC NameN-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccccc2Cl)nc2ccc(C)cc12
InChIInChI=1S/C21H21ClN2O/c1-3-4-11-23-21(25)17-13-20(15-7-5-6-8-18(15)22)24-19-10-9-14(2)12-16(17)19/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25)
InChIKeyPXQKPOCZFJAZFK-UHFFFAOYSA-N
XLogP5.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.87
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
CID 4613424
methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate
CID 30591047
N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42749781
N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide
CID 42750116
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
CID 42749978
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
potassium;2-[(2-chloro-6-methylquinoline-4-carbonyl)amino]ethyl-ethylazanide;ethane
CID 143840147

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide?
The IUPAC name of N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide (CID 3625064) is N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide.
What is the SMILES notation for N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide?
The canonical SMILES for N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide is CCCCNC(=O)c1cc(-c2ccccc2Cl)nc2ccc(C)cc12.
What is the InChIKey of N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide?
The InChIKey is PXQKPOCZFJAZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c1-3-4-11-23-21(25)17-13-20(15-7-5-6-8-18(15)22)24-19-10-9-14(2)12-16(17)19/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25).
What are the key properties of N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide?
N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide has a molecular weight of 352.87 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide is sourced from PubChem (CID 3625064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).