2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide

C18H22N2O2 — CID 4288589

IUPAC2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide
SMILESCC1CCCCC1NC(=O)c1cn(C)c(=O)c2ccccc12
InChIInChI=1S/C18H22N2O2/c1-12-7-3-6-10-16(12)19-17(21)15-11-20(2)18(22)14-9-5-4-8-13(14)15/h4-5,8-9,11-12,16H,3,6-7,10H2,1-2H3,(H,19,21)
InChIKeyXICUXXVTECMLME-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.85
Rot. Bonds2

About 2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide

2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide (PubChem CID 4288589) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide
PubChem CID4288589
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide
SMILESCC1CCCCC1NC(=O)c1cn(C)c(=O)c2ccccc12
InChIInChI=1S/C18H22N2O2/c1-12-7-3-6-10-16(12)19-17(21)15-11-20(2)18(22)14-9-5-4-8-13(14)15/h4-5,8-9,11-12,16H,3,6-7,10H2,1-2H3,(H,19,21)
InChIKeyXICUXXVTECMLME-UHFFFAOYSA-N
XLogP2.85
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2107436
N-[(4R)-2,2-dimethyloxan-4-yl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 96544276
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
2-(2,4-difluorophenyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-1-oxoisoquinoline-4-carboxamide
CID 98478101
1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea
CID 40519549
1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide
CID 106771845
N-(2-methylcyclohexyl)-2-(propan-2-ylamino)benzamide
CID 63107606
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619418

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide (CID 4288589) is 2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide is CC1CCCCC1NC(=O)c1cn(C)c(=O)c2ccccc12.
What is the InChIKey of 2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide?
The InChIKey is XICUXXVTECMLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-7-3-6-10-16(12)19-17(21)15-11-20(2)18(22)14-9-5-4-8-13(14)15/h4-5,8-9,11-12,16H,3,6-7,10H2,1-2H3,(H,19,21).
What are the key properties of 2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide?
2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 4288589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).