6-(3-amino-2-methylpropyl)-3-methyl-1H-quinolin-2-one

C14H18N2O — CID 116997516

IUPAC6-(3-amino-2-methylpropyl)-3-methyl-1H-quinolin-2-one
SMILESCc1cc2cc(CC(C)CN)ccc2[nH]c1=O
InChIInChI=1S/C14H18N2O/c1-9(8-15)5-11-3-4-13-12(7-11)6-10(2)14(17)16-13/h3-4,6-7,9H,5,8,15H2,1-2H3,(H,16,17)
InChIKeyRCHOOGBXBDFGGV-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.97
Rot. Bonds3

About 6-(3-amino-2-methylpropyl)-3-methyl-1H-quinolin-2-one

6-(3-amino-2-methylpropyl)-3-methyl-1H-quinolin-2-one (PubChem CID 116997516) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-(3-amino-2-methylpropyl)-3-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-amino-2-methylpropyl)-3-methyl-1H-quinolin-2-one
PubChem CID116997516
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name6-(3-amino-2-methylpropyl)-3-methyl-1H-quinolin-2-one
SMILESCc1cc2cc(CC(C)CN)ccc2[nH]c1=O
InChIInChI=1S/C14H18N2O/c1-9(8-15)5-11-3-4-13-12(7-11)6-10(2)14(17)16-13/h3-4,6-7,9H,5,8,15H2,1-2H3,(H,16,17)
InChIKeyRCHOOGBXBDFGGV-UHFFFAOYSA-N
XLogP1.97
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(3-amino-2-methylpropyl)-3-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

Related Compounds

6-(2-amino-1-hydroxyethyl)-3-methyl-1H-quinolin-2-one
CID 116997652
6-amino-3-methyl-1H-quinolin-2-one
CID 28809409
6-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-1H-quinolin-2-one
CID 116997581
6-[2-(cyclopropylamino)ethyl]-3-methyl-1H-quinolin-2-one
CID 116997530
6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one
CID 116997657
2-(3-methyl-2-oxo-1H-quinolin-6-yl)butanoic acid
CID 116997669
3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one
CID 116997535
3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 83818376
N-cyclopropyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390059
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110666149
2,5-dimethyl-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide
CID 110643310
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2-methylpropyl)-3-methyl-1H-quinolin-2-one?
The IUPAC name of 6-(3-amino-2-methylpropyl)-3-methyl-1H-quinolin-2-one (CID 116997516) is 6-(3-amino-2-methylpropyl)-3-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-amino-2-methylpropyl)-3-methyl-1H-quinolin-2-one?
The canonical SMILES for 6-(3-amino-2-methylpropyl)-3-methyl-1H-quinolin-2-one is Cc1cc2cc(CC(C)CN)ccc2[nH]c1=O.
What is the InChIKey of 6-(3-amino-2-methylpropyl)-3-methyl-1H-quinolin-2-one?
The InChIKey is RCHOOGBXBDFGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(8-15)5-11-3-4-13-12(7-11)6-10(2)14(17)16-13/h3-4,6-7,9H,5,8,15H2,1-2H3,(H,16,17).
What are the key properties of 6-(3-amino-2-methylpropyl)-3-methyl-1H-quinolin-2-one?
6-(3-amino-2-methylpropyl)-3-methyl-1H-quinolin-2-one has a molecular weight of 230.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-2-methylpropyl)-3-methyl-1H-quinolin-2-one is sourced from PubChem (CID 116997516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).