N-[(1E)-3,3,6-trimethyl-1H,2H,3H,4H,7H-indolo[2,3-c]quinolin-1-ylidene]hydroxylamine

• ChemBase ID: 183880
• Molecular Formular: C18H19N3O
• Molecular Mass: 293.36296
• Monoisotopic Mass: 293.15281224
• SMILES: c12c(c3c(nc2C)CC(C/C/3=N\O)(C)C)c2c([nH]1)cccc2
• Canonical SMILES: O/N=C/1\CC(C)(C)Cc2c1c1c(c(n2)C)[nH]c2c1cccc2
• InChI: InChI=1S/C18H19N3O/c1-10-17-15(11-6-4-5-7-12(11)20-17)16-13(19-10)8-18(2,3)9-14(16)21-22/h4-7,20,22H,8-9H2,1-3H3/b21-14+
• InChIKey: SVGKIVDCRYSXIV-KGENOOAVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1E)-3,3,6-trimethyl-1H,2H,3H,4H,7H-indolo[2,3-c]quinolin-1-ylidene]hydroxylamine
• IUPAC Traditional name: N-[(1E)-3,3,6-trimethyl-2H,4H,7H-indolo[2,3-c]quinolin-1-ylidene]hydroxylamine

Database IDs

• PubChem SID: 164239790
• PubChem CID: 5338643

CALCULATED PROPERTIES

• Acid pKa: 10.575224
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5291383
• LogD (pH = 7.4): 2.7782156
• Log P: 2.7829242
• Molar Refractivity: 86.5971 cm^3
• Polarizability: 35.640003 Å^3
• Polar Surface Area: 61.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds