3-[N-(cyclohexylmethyl)-C-methylcarbonimidoyl]-4-hydroxy-1H-quinolin-2-one

C18H22N2O2 — CID 162675887

IUPAC3-[N-(cyclohexylmethyl)-C-methylcarbonimidoyl]-4-hydroxy-1H-quinolin-2-one
SMILESC/C(=N\CC1CCCCC1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C18H22N2O2/c1-12(19-11-13-7-3-2-4-8-13)16-17(21)14-9-5-6-10-15(14)20-18(16)22/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H2,20,21,22)/b19-12+
InChIKeySQFHKNRKXAFXJF-XDHOZWIPSA-N
MW298.39 g/mol
LogP3.62
Rot. Bonds3

About 3-[N-(cyclohexylmethyl)-C-methylcarbonimidoyl]-4-hydroxy-1H-quinolin-2-one

3-[N-(cyclohexylmethyl)-C-methylcarbonimidoyl]-4-hydroxy-1H-quinolin-2-one (PubChem CID 162675887) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-[N-(cyclohexylmethyl)-C-methylcarbonimidoyl]-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[N-(cyclohexylmethyl)-C-methylcarbonimidoyl]-4-hydroxy-1H-quinolin-2-one
PubChem CID162675887
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-[N-(cyclohexylmethyl)-C-methylcarbonimidoyl]-4-hydroxy-1H-quinolin-2-one
SMILESC/C(=N\CC1CCCCC1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C18H22N2O2/c1-12(19-11-13-7-3-2-4-8-13)16-17(21)14-9-5-6-10-15(14)20-18(16)22/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H2,20,21,22)/b19-12+
InChIKeySQFHKNRKXAFXJF-XDHOZWIPSA-N
XLogP3.62
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,4-Dihydroxyquinoline
CID 54680871
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(1-methylethyl)-2-oxo-
CID 54679386
N-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)acetamide
CID 54686494
2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide
CID 54688356
1-Butyl-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54683118
4-Hydroxy-3-methylquinolin-2(1H)-one
CID 54678416
1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid phenethyl-amide
CID 54682638
3-Phenyl-2,4-quinolinediol
CID 54677756
1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54684065
4-Hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)-1,2-dihydroquinoline-3-carboxamide
CID 54680142

Frequently Asked Questions

What is the IUPAC name of 3-[N-(cyclohexylmethyl)-C-methylcarbonimidoyl]-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-[N-(cyclohexylmethyl)-C-methylcarbonimidoyl]-4-hydroxy-1H-quinolin-2-one (CID 162675887) is 3-[N-(cyclohexylmethyl)-C-methylcarbonimidoyl]-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[N-(cyclohexylmethyl)-C-methylcarbonimidoyl]-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-[N-(cyclohexylmethyl)-C-methylcarbonimidoyl]-4-hydroxy-1H-quinolin-2-one is C/C(=N\CC1CCCCC1)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 3-[N-(cyclohexylmethyl)-C-methylcarbonimidoyl]-4-hydroxy-1H-quinolin-2-one?
The InChIKey is SQFHKNRKXAFXJF-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(19-11-13-7-3-2-4-8-13)16-17(21)14-9-5-6-10-15(14)20-18(16)22/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H2,20,21,22)/b19-12+.
What are the key properties of 3-[N-(cyclohexylmethyl)-C-methylcarbonimidoyl]-4-hydroxy-1H-quinolin-2-one?
3-[N-(cyclohexylmethyl)-C-methylcarbonimidoyl]-4-hydroxy-1H-quinolin-2-one has a molecular weight of 298.39 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(cyclohexylmethyl)-C-methylcarbonimidoyl]-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 162675887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).