N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide

C18H22N2O2 — CID 110666063

IUPACN-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide
SMILESCc1cc2cc(CNC(=O)C3CCCCC3)ccc2[nH]c1=O
InChIInChI=1S/C18H22N2O2/c1-12-9-15-10-13(7-8-16(15)20-17(12)21)11-19-18(22)14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyOSPGRIKICJKXRH-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.03
Rot. Bonds3

About N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide

N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide (PubChem CID 110666063) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide
PubChem CID110666063
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide
SMILESCc1cc2cc(CNC(=O)C3CCCCC3)ccc2[nH]c1=O
InChIInChI=1S/C18H22N2O2/c1-12-9-15-10-13(7-8-16(15)20-17(12)21)11-19-18(22)14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyOSPGRIKICJKXRH-UHFFFAOYSA-N
XLogP3.03
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390127
3,5-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666082
2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666083
N-cyclopropyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390059
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentanecarboxamide
CID 4091360
3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666084
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 110390084
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide
CID 110785342
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
3-methoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666080
N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide
CID 110672196
N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclohexanecarboxamide
CID 110781277

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide (CID 110666063) is N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide is Cc1cc2cc(CNC(=O)C3CCCCC3)ccc2[nH]c1=O.
What is the InChIKey of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide?
The InChIKey is OSPGRIKICJKXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-9-15-10-13(7-8-16(15)20-17(12)21)11-19-18(22)14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide?
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 110666063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).