N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide

C23H23FN2O — CID 42749913

IUPACN-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3F)cc(C(=O)NC3CCCCC3)c2c1
InChIInChI=1S/C23H23FN2O/c1-15-11-12-21-18(13-15)19(23(27)25-16-7-3-2-4-8-16)14-22(26-21)17-9-5-6-10-20(17)24/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,25,27)
InChIKeyJSNSWXBXKPNQRL-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.41
Rot. Bonds3

About N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide

N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide (PubChem CID 42749913) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide
PubChem CID42749913
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC NameN-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3F)cc(C(=O)NC3CCCCC3)c2c1
InChIInChI=1S/C23H23FN2O/c1-15-11-12-21-18(13-15)19(23(27)25-16-7-3-2-4-8-16)14-22(26-21)17-9-5-6-10-20(17)24/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,25,27)
InChIKeyJSNSWXBXKPNQRL-UHFFFAOYSA-N
XLogP5.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 42749910
N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3667431
N-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134804041
N-cyclohexyl-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323629
N-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide
CID 42750152
N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757634
N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659167
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
N-cycloheptyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512639
N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
CID 20854533
2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749525
ethyl 4-[2-(2-fluorophenyl)-6-methylquinoline-4-carbonyl]piperazine-1-carboxylate
CID 42749933

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide (CID 42749913) is N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccccc3F)cc(C(=O)NC3CCCCC3)c2c1.
What is the InChIKey of N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide?
The InChIKey is JSNSWXBXKPNQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c1-15-11-12-21-18(13-15)19(23(27)25-16-7-3-2-4-8-16)14-22(26-21)17-9-5-6-10-20(17)24/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,25,27).
What are the key properties of N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide?
N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide is sourced from PubChem (CID 42749913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).