N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide

C16H18N2O3 — CID 104927982

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C16H18N2O3/c19-14-8-4-3-7-13(14)18-16(21)11-9-17-12-6-2-1-5-10(12)15(11)20/h1-2,5-6,9,13-14,19H,3-4,7-8H2,(H,17,20)(H,18,21)/t13-,14-/m1/s1
InChIKeyNUVRATOQVOCGGX-ZIAGYGMSSA-N
MW286.33 g/mol
LogP1.56
Rot. Bonds2

About N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide

N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 104927982) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID104927982
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C16H18N2O3/c19-14-8-4-3-7-13(14)18-16(21)11-9-17-12-6-2-1-5-10(12)15(11)20/h1-2,5-6,9,13-14,19H,3-4,7-8H2,(H,17,20)(H,18,21)/t13-,14-/m1/s1
InChIKeyNUVRATOQVOCGGX-ZIAGYGMSSA-N
XLogP1.56
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxycyclohexyl)-1H-indole-3-carboxamide
CID 55064120
N-(2-hydroxycyclohexyl)-1H-indole-4-carboxamide
CID 62366462
N-[(3S,4S)-4-methoxyoxolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 154868176
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide
CID 107211254
N-(2-aminocyclopentyl)-1H-indole-3-carboxamide
CID 63251414
N-(2-hydroxycyclohexyl)-2-oxo-1H-pyridine-3-carboxamide
CID 62365088
N-[2-(hydroxymethyl)cyclopentyl]-1H-indole-3-carboxamide
CID 103774231
N-(2-methylpiperidin-3-yl)-1H-indole-3-carboxamide
CID 114694981
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide
CID 110011778
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide
CID 7117325

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide (CID 104927982) is N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is NUVRATOQVOCGGX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-14-8-4-3-7-13(14)18-16(21)11-9-17-12-6-2-1-5-10(12)15(11)20/h1-2,5-6,9,13-14,19H,3-4,7-8H2,(H,17,20)(H,18,21)/t13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 104927982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).