N-{6-methylindolo[1,2-c]quinazolin-12-yl}acetamide

• ChemBase ID: 199200
• Molecular Formular: C18H15N3O
• Molecular Mass: 289.3312
• Monoisotopic Mass: 289.12151212
• SMILES: n12c(c(c3c2cccc3)NC(=O)C)c2c(nc1C)cccc2
• Canonical SMILES: CC(=O)Nc1c2c3ccccc3nc(n2c2c1cccc2)C
• InChI: InChI=1S/C18H15N3O/c1-11-19-15-9-5-3-7-13(15)18-17(20-12(2)22)14-8-4-6-10-16(14)21(11)18/h3-10H,1-2H3,(H,20,22)
• InChIKey: JXZPRJSZRFWAMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{6-methylindolo[1,2-c]quinazolin-12-yl}acetamide
• IUPAC Traditional name: N-{6-methylindolo[1,2-c]quinazolin-12-yl}acetamide

Database IDs

• PubChem SID: 164255110
• PubChem CID: 907996

CALCULATED PROPERTIES

• Acid pKa: 12.176151
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1663253
• LogD (pH = 7.4): 2.166378
• Log P: 2.1663857
• Molar Refractivity: 88.0463 cm^3
• Polarizability: 35.754948 Å^3
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds