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

C17H13ClN2O — CID 856039

IUPACN-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C17H13ClN2O/c1-11-10-13(12-6-2-4-8-15(12)19-11)17(21)20-16-9-5-3-7-14(16)18/h2-10H,1H3,(H,20,21)
InChIKeyRAFOGEPOWMXIRK-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.45
Rot. Bonds2

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

N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide (PubChem CID 856039) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
PubChem CID856039
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC NameN-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C17H13ClN2O/c1-11-10-13(12-6-2-4-8-15(12)19-11)17(21)20-16-9-5-3-7-14(16)18/h2-10H,1H3,(H,20,21)
InChIKeyRAFOGEPOWMXIRK-UHFFFAOYSA-N
XLogP4.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 26364307
2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide
CID 62155570
N-(5-chloro-2,4-dimethoxyphenyl)-2-methylquinoline-4-carboxamide
CID 26210631
N-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
CID 55613609
N-(2-fluoro-4-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17451783
N-(2-fluoro-5-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17434472
N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3131012
N-(2-chlorophenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224329
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
N-(2-amino-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 24710172
N-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 24698449
2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide
CID 134004270

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide (CID 856039) is N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2Cl)c2ccccc2n1.
What is the InChIKey of N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide?
The InChIKey is RAFOGEPOWMXIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-11-10-13(12-6-2-4-8-15(12)19-11)17(21)20-16-9-5-3-7-14(16)18/h2-10H,1H3,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide?
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide has a molecular weight of 296.76 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 856039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).