N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide

C17H19FN2O — CID 46409117

IUPACN-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)c2ccc(F)cc2n1
InChIInChI=1S/C17H19FN2O/c1-11-9-15(14-8-7-12(18)10-16(14)19-11)17(21)20-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H,20,21)
InChIKeyNLKJXZTZXKNXTE-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.74
Rot. Bonds2

About N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide

N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 46409117) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
PubChem CID46409117
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)c2ccc(F)cc2n1
InChIInChI=1S/C17H19FN2O/c1-11-9-15(14-8-7-12(18)10-16(14)19-11)17(21)20-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H,20,21)
InChIKeyNLKJXZTZXKNXTE-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-7-fluoro-2-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

N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 55879301
7-fluoro-2-methyl-N-(3-methylsulfanylcyclohexyl)quinoline-4-carboxamide
CID 86965984
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 56812131
7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide
CID 96575727
N-cyclohexyl-2-methylquinoline-5-carboxamide
CID 143116109
7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide
CID 111661805
1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 75402965
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 70747971
7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide
CID 17261236
N-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide
CID 42750152
N-(azepan-4-yl)-2-methylquinoline-4-carboxamide
CID 105058000
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide (CID 46409117) is N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NC2CCCCC2)c2ccc(F)cc2n1.
What is the InChIKey of N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is NLKJXZTZXKNXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-11-9-15(14-8-7-12(18)10-16(14)19-11)17(21)20-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H,20,21).
What are the key properties of N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide?
N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 286.35 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 46409117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).