1-methyl-4-[(2-methylcyclohexyl)methylamino]quinolin-2-one

C18H24N2O — CID 81244559

IUPAC1-methyl-4-[(2-methylcyclohexyl)methylamino]quinolin-2-one
SMILESCC1CCCCC1CNc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C18H24N2O/c1-13-7-3-4-8-14(13)12-19-16-11-18(21)20(2)17-10-6-5-9-15(16)17/h5-6,9-11,13-14,19H,3-4,7-8,12H2,1-2H3
InChIKeyAKYNLPRZSBFGDN-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.78
Rot. Bonds3

About 1-methyl-4-[(2-methylcyclohexyl)methylamino]quinolin-2-one

1-methyl-4-[(2-methylcyclohexyl)methylamino]quinolin-2-one (PubChem CID 81244559) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-methyl-4-[(2-methylcyclohexyl)methylamino]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(2-methylcyclohexyl)methylamino]quinolin-2-one
PubChem CID81244559
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-methyl-4-[(2-methylcyclohexyl)methylamino]quinolin-2-one
SMILESCC1CCCCC1CNc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C18H24N2O/c1-13-7-3-4-8-14(13)12-19-16-11-18(21)20(2)17-10-6-5-9-15(16)17/h5-6,9-11,13-14,19H,3-4,7-8,12H2,1-2H3
InChIKeyAKYNLPRZSBFGDN-UHFFFAOYSA-N
XLogP3.78
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-methylcyclohexyl)methylamino]quinolin-2-one?
The IUPAC name of 1-methyl-4-[(2-methylcyclohexyl)methylamino]quinolin-2-one (CID 81244559) is 1-methyl-4-[(2-methylcyclohexyl)methylamino]quinolin-2-one.
What is the SMILES notation for 1-methyl-4-[(2-methylcyclohexyl)methylamino]quinolin-2-one?
The canonical SMILES for 1-methyl-4-[(2-methylcyclohexyl)methylamino]quinolin-2-one is CC1CCCCC1CNc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of 1-methyl-4-[(2-methylcyclohexyl)methylamino]quinolin-2-one?
The InChIKey is AKYNLPRZSBFGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-7-3-4-8-14(13)12-19-16-11-18(21)20(2)17-10-6-5-9-15(16)17/h5-6,9-11,13-14,19H,3-4,7-8,12H2,1-2H3.
What are the key properties of 1-methyl-4-[(2-methylcyclohexyl)methylamino]quinolin-2-one?
1-methyl-4-[(2-methylcyclohexyl)methylamino]quinolin-2-one has a molecular weight of 284.40 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-methylcyclohexyl)methylamino]quinolin-2-one is sourced from PubChem (CID 81244559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).