7-amino-1-methyl-1,2-dihydroquinolin-2-one

• ChemBase ID: 245254
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: n1(c2c(ccc1=O)ccc(c2)N)C
• Canonical SMILES: Nc1ccc2c(c1)n(C)c(=O)cc2
• InChI: InChI=1S/C10H10N2O/c1-12-9-6-8(11)4-2-7(9)3-5-10(12)13/h2-6H,11H2,1H3
• InChIKey: AVDMUZYDWIASIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-amino-1-methyl-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 7-amino-1-methylquinolin-2-one
• Synonyms: 7-amino-1-methyl-1,2-dihydroquinolin-2-one

Database IDs

• MDL Number: MFCD20697282
• PubChem SID: 164301164
• PubChem CID: 15435170

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.62547314
• LogD (pH = 7.4): 0.63219607
• Log P: 0.63228244
• Molar Refractivity: 53.0955 cm^3
• Polarizability: 19.128601 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.446

Product Information

• Purity: 95%