7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one

C19H26N2O — CID 855490

IUPAC7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CN[C@H]3CCCC[C@H]3C)c(=O)[nH]c2c1C
InChIInChI=1S/C19H26N2O/c1-12-8-9-15-10-16(19(22)21-18(15)14(12)3)11-20-17-7-5-4-6-13(17)2/h8-10,13,17,20H,4-7,11H2,1-3H3,(H,21,22)/t13-,17+/m1/s1
InChIKeyLLKIVLOFQKVWQB-DYVFJYSZSA-N
MW298.43 g/mol
LogP3.81
Rot. Bonds3

About 7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one

7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 855490) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one
PubChem CID855490
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CN[C@H]3CCCC[C@H]3C)c(=O)[nH]c2c1C
InChIInChI=1S/C19H26N2O/c1-12-8-9-15-10-16(19(22)21-18(15)14(12)3)11-20-17-7-5-4-6-13(17)2/h8-10,13,17,20H,4-7,11H2,1-3H3,(H,21,22)/t13-,17+/m1/s1
InChIKeyLLKIVLOFQKVWQB-DYVFJYSZSA-N
XLogP3.81
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one (CID 855490) is 7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one is Cc1ccc2cc(CN[C@H]3CCCC[C@H]3C)c(=O)[nH]c2c1C.
What is the InChIKey of 7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is LLKIVLOFQKVWQB-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H26N2O/c1-12-8-9-15-10-16(19(22)21-18(15)14(12)3)11-20-17-7-5-4-6-13(17)2/h8-10,13,17,20H,4-7,11H2,1-3H3,(H,21,22)/t13-,17+/m1/s1.
What are the key properties of 7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one?
7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 298.43 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 855490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).