6-methylindolo[1,2-c]quinazolin-12-amine

• ChemBase ID: 233815
• Molecular Formular: C16H13N3
• Molecular Mass: 247.29452
• Monoisotopic Mass: 247.11094743
• SMILES: n12c(c(c3c2cccc3)N)c2c(nc1C)cccc2
• Canonical SMILES: Nc1c2c3ccccc3nc(n2c2c1cccc2)C
• InChI: InChI=1S/C16H13N3/c1-10-18-13-8-4-2-6-11(13)16-15(17)12-7-3-5-9-14(12)19(10)16/h2-9H,17H2,1H3
• InChIKey: JXDDRDSPPIIJOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylindolo[1,2-c]quinazolin-12-amine
• IUPAC Traditional name: 6-methylindolo[1,2-c]quinazolin-12-amine
• Synonyms: 6-Methyl-indolo[1,2-c]quinazolin-12-ylamine

Database IDs

• CAS Number: 55338-12-0
• MDL Number: MFCD04623039
• PubChem SID: 164289725
• PubChem CID: 2396841

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0997086
• LogD (pH = 7.4): 2.0997488
• Log P: 2.0997493
• Molar Refractivity: 77.8837 cm^3
• Polarizability: 32.0932 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 200 - 202°C
• Hydrophobicity(logP): 3.946

Product Information

• Purity: 95%