2-hydrazinyl-8-methoxy-5H,6H-benzo[h]quinazoline

• ChemBase ID: 309859
• Molecular Formular: C13H14N4O
• Molecular Mass: 242.27646
• Monoisotopic Mass: 242.11676109
• SMILES: c12nc(ncc2CCc2c1ccc(c2)OC)NN
• Canonical SMILES: COc1ccc2c(c1)CCc1c2nc(NN)nc1
• InChI: InChI=1S/C13H14N4O/c1-18-10-4-5-11-8(6-10)2-3-9-7-15-13(17-14)16-12(9)11/h4-7H,2-3,14H2,1H3,(H,15,16,17)
• InChIKey: WFAZWNKWTXGYMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-8-methoxy-5H,6H-benzo[h]quinazoline
• IUPAC Traditional name: 2-hydrazinyl-8-methoxy-5H,6H-benzo[h]quinazoline
• Synonyms: 2-hydrazino-8-methoxy-5,6-dihydrobenzo[h]quinazoline

Database IDs

• MDL Number: MFCD22575211

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.2476764
• LogD (pH = 7.4): 2.5527942
• Log P: 2.5586853
• Molar Refractivity: 71.8826 cm^3
• Polarizability: 27.368904 Å^3
• Polar Surface Area: 73.06 Å^2