N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide

C16H19N3O2 — CID 61038006

IUPACN-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESNC1CCCCC1NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C16H19N3O2/c17-12-6-2-4-8-14(12)19-16(21)11-9-15(20)18-13-7-3-1-5-10(11)13/h1,3,5,7,9,12,14H,2,4,6,8,17H2,(H,18,20)(H,19,21)
InChIKeyUEEKOHRIHIORER-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.53
Rot. Bonds2

About N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide

N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 61038006) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID61038006
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESNC1CCCCC1NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C16H19N3O2/c17-12-6-2-4-8-14(12)19-16(21)11-9-15(20)18-13-7-3-1-5-10(11)13/h1,3,5,7,9,12,14H,2,4,6,8,17H2,(H,18,20)(H,19,21)
InChIKeyUEEKOHRIHIORER-UHFFFAOYSA-N
XLogP1.53
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 124703895
N-(2-methylpiperidin-3-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 114695048
N-(2-aminocyclopentyl)-1H-indole-3-carboxamide
CID 63251414
2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide
CID 79687976
N-(2-aminocycloheptyl)-1H-indole-4-carboxamide
CID 63257895
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide
CID 114040267
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119457477
N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide
CID 93452695
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 10086797
2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide
CID 25475206
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 72927897

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide (CID 61038006) is N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide is NC1CCCCC1NC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is UEEKOHRIHIORER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-12-6-2-4-8-14(12)19-16(21)11-9-15(20)18-13-7-3-1-5-10(11)13/h1,3,5,7,9,12,14H,2,4,6,8,17H2,(H,18,20)(H,19,21).
What are the key properties of N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide?
N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 61038006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).