N-[(1Z)-3,3,6-trimethyl-1H,2H,3H,4H,11H-indolo[3,2-c]quinolin-1-ylidene]hydroxylamine

• ChemBase ID: 208296
• Molecular Formular: C18H19N3O
• Molecular Mass: 293.36296
• Monoisotopic Mass: 293.15281224
• SMILES: c12c3c(nc(c1c1c([nH]2)cccc1)C)CC(C/C/3=N/O)(C)C
• Canonical SMILES: O/N=C\1/CC(C)(C)Cc2c1c1[nH]c3c(c1c(n2)C)cccc3
• InChI: InChI=1S/C18H19N3O/c1-10-15-11-6-4-5-7-12(11)20-17(15)16-13(19-10)8-18(2,3)9-14(16)21-22/h4-7,20,22H,8-9H2,1-3H3/b21-14-
• InChIKey: DRJAEWDHIHXPEJ-STZFKDTASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1Z)-3,3,6-trimethyl-1H,2H,3H,4H,11H-indolo[3,2-c]quinolin-1-ylidene]hydroxylamine
• IUPAC Traditional name: N-[(1Z)-3,3,6-trimethyl-2H,4H,11H-indolo[3,2-c]quinolin-1-ylidene]hydroxylamine

Database IDs

• PubChem SID: 164264206
• PubChem CID: 5865525

CALCULATED PROPERTIES

• Acid pKa: 10.811655
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.9004942
• LogD (pH = 7.4): 1.7124567
• Log P: 2.7829242
• Molar Refractivity: 86.5971 cm^3
• Polarizability: 35.636654 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