7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide

C17H19FN2O — CID 22136439

IUPAC7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide
SMILESCC1CCC(NC(=O)c2cnc3cc(F)ccc3c2)CC1
InChIInChI=1S/C17H19FN2O/c1-11-2-6-15(7-3-11)20-17(21)13-8-12-4-5-14(18)9-16(12)19-10-13/h4-5,8-11,15H,2-3,6-7H2,1H3,(H,20,21)
InChIKeyIGWAKMMPZZXMCO-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.68
Rot. Bonds2

About 7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide

7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide (PubChem CID 22136439) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide
PubChem CID22136439
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide
SMILESCC1CCC(NC(=O)c2cnc3cc(F)ccc3c2)CC1
InChIInChI=1S/C17H19FN2O/c1-11-2-6-15(7-3-11)20-17(21)13-8-12-4-5-14(18)9-16(12)19-10-13/h4-5,8-11,15H,2-3,6-7H2,1H3,(H,20,21)
InChIKeyIGWAKMMPZZXMCO-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-2-methyl-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 17469585
6-fluoro-N-(oxan-4-yl)quinoline-3-carboxamide
CID 166186547
8-methoxy-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136433
N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406
7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247376
(7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110489762
7-fluoroquinoline-3-carboxamide
CID 54200639
7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide
CID 110489754
2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132415
5-chloro-6-(methylamino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 55042305
3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide
CID 88883035
N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide
CID 150149024

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide?
The IUPAC name of 7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide (CID 22136439) is 7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide is CC1CCC(NC(=O)c2cnc3cc(F)ccc3c2)CC1.
What is the InChIKey of 7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide?
The InChIKey is IGWAKMMPZZXMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-11-2-6-15(7-3-11)20-17(21)13-8-12-4-5-14(18)9-16(12)19-10-13/h4-5,8-11,15H,2-3,6-7H2,1H3,(H,20,21).
What are the key properties of 7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide?
7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide has a molecular weight of 286.35 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide is sourced from PubChem (CID 22136439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).