N-(cyclohexylmethyl)quinoline-2-carboxamide

C17H20N2O — CID 2496984

IUPACN-(cyclohexylmethyl)quinoline-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1ccc2ccccc2n1
InChIInChI=1S/C17H20N2O/c20-17(18-12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)19-16/h4-5,8-11,13H,1-3,6-7,12H2,(H,18,20)
InChIKeyZIRLXCGENNFWKB-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.54
Rot. Bonds3

About N-(cyclohexylmethyl)quinoline-2-carboxamide

N-(cyclohexylmethyl)quinoline-2-carboxamide (PubChem CID 2496984) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(cyclohexylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)quinoline-2-carboxamide
PubChem CID2496984
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(cyclohexylmethyl)quinoline-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1ccc2ccccc2n1
InChIInChI=1S/C17H20N2O/c20-17(18-12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)19-16/h4-5,8-11,13H,1-3,6-7,12H2,(H,18,20)
InChIKeyZIRLXCGENNFWKB-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide
CID 106123559
N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide
CID 66005598
N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide
CID 163308171
N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide
CID 106121586
6-N-(cyclohexylmethyl)pyridine-2,6-dicarboxamide
CID 139664789
4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
CID 63376122
N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide
CID 90621816
N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide
CID 69308413
methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate
CID 170993372
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
CID 115496783
N-[[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]quinoline-2-carboxamide
CID 131945303

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)quinoline-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)quinoline-2-carboxamide (CID 2496984) is N-(cyclohexylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)quinoline-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)quinoline-2-carboxamide is O=C(NCC1CCCCC1)c1ccc2ccccc2n1.
What is the InChIKey of N-(cyclohexylmethyl)quinoline-2-carboxamide?
The InChIKey is ZIRLXCGENNFWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(18-12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)19-16/h4-5,8-11,13H,1-3,6-7,12H2,(H,18,20).
What are the key properties of N-(cyclohexylmethyl)quinoline-2-carboxamide?
N-(cyclohexylmethyl)quinoline-2-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 2496984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).