N-(4-methylcyclohexyl)quinoline-6-carboxamide

C17H20N2O — CID 22136406

IUPACN-(4-methylcyclohexyl)quinoline-6-carboxamide
SMILESCC1CCC(NC(=O)c2ccc3ncccc3c2)CC1
InChIInChI=1S/C17H20N2O/c1-12-4-7-15(8-5-12)19-17(20)14-6-9-16-13(11-14)3-2-10-18-16/h2-3,6,9-12,15H,4-5,7-8H2,1H3,(H,19,20)
InChIKeyLEOAMXGUZKXHAG-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.54
Rot. Bonds2

About N-(4-methylcyclohexyl)quinoline-6-carboxamide

N-(4-methylcyclohexyl)quinoline-6-carboxamide (PubChem CID 22136406) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)quinoline-6-carboxamide
PubChem CID22136406
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(4-methylcyclohexyl)quinoline-6-carboxamide
SMILESCC1CCC(NC(=O)c2ccc3ncccc3c2)CC1
InChIInChI=1S/C17H20N2O/c1-12-4-7-15(8-5-12)19-17(20)14-6-9-16-13(11-14)3-2-10-18-16/h2-3,6,9-12,15H,4-5,7-8H2,1H3,(H,19,20)
InChIKeyLEOAMXGUZKXHAG-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925
N-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide
CID 169421424
N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide
CID 115881808
ethane;quinoline-6-carboxylic acid
CID 91364452
N-octylquinoline-6-carboxamide
CID 68863650
N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride
CID 119620989
6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide
CID 176505850
7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136439
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
CID 90633284
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide
CID 76975241
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)quinoline-6-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)quinoline-6-carboxamide (CID 22136406) is N-(4-methylcyclohexyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)quinoline-6-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)quinoline-6-carboxamide is CC1CCC(NC(=O)c2ccc3ncccc3c2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)quinoline-6-carboxamide?
The InChIKey is LEOAMXGUZKXHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-4-7-15(8-5-12)19-17(20)14-6-9-16-13(11-14)3-2-10-18-16/h2-3,6,9-12,15H,4-5,7-8H2,1H3,(H,19,20).
What are the key properties of N-(4-methylcyclohexyl)quinoline-6-carboxamide?
N-(4-methylcyclohexyl)quinoline-6-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)quinoline-6-carboxamide is sourced from PubChem (CID 22136406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).