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

• ChemBase ID: 239398
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c1(=O)cc(c2c(n1C)cccc2)N
• Canonical SMILES: Nc1cc(=O)n(c2c1cccc2)C
• InChI: InChI=1S/C10H10N2O/c1-12-9-5-3-2-4-7(9)8(11)6-10(12)13/h2-6H,11H2,1H3
• InChIKey: SQTXCJBTIKUMKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-1-methyl-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 4-amino-1-methylquinolin-2-one
• Synonyms: 4-amino-1-methyl-1,2-dihydroquinolin-2-one

Database IDs

• MDL Number: MFCD13179526
• PubChem SID: 164295308
• PubChem CID: 2786483

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.07046414
• LogD (pH = 7.4): 0.07048039
• Log P: 0.0704806
• Molar Refractivity: 51.9449 cm^3
• Polarizability: 19.122416 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.571

Product Information

• Purity: 95%