N-ethyl-6'-methoxy-1-methyl-2-oxo-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indole]-2'-carboxamide

• ChemBase ID: 216336
• Molecular Formular: C23H24N4O3
• Molecular Mass: 404.46166
• Monoisotopic Mass: 404.18484065
• SMILES: C12(c3c(c4c([nH]3)ccc(c4)OC)CCN1C(=O)NCC)C(=O)N(c1c2cccc1)C
• Canonical SMILES: CCNC(=O)N1CCc2c(C31c1ccccc1N(C3=O)C)[nH]c1c2cc(cc1)OC
• InChI: InChI=1S/C23H24N4O3/c1-4-24-22(29)27-12-11-15-16-13-14(30-3)9-10-18(16)25-20(15)23(27)17-7-5-6-8-19(17)26(2)21(23)28/h5-10,13,25H,4,11-12H2,1-3H3,(H,24,29)
• InChIKey: LLCWKWTZRHBEFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-6'-methoxy-1-methyl-2-oxo-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indole]-2'-carboxamide
• IUPAC Traditional name: N-ethyl-6'-methoxy-1-methyl-2-oxo-4',9'-dihydro-3'H-spiro[indole-3,1'-pyrido[3,4-b]indole]-2'-carboxamide

Database IDs

• PubChem SID: 164272246
• PubChem CID: 16406718

CALCULATED PROPERTIES

• Acid pKa: 14.730085
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.966229
• LogD (pH = 7.4): 1.966229
• Log P: 1.966229
• Molar Refractivity: 113.8741 cm^3
• Polarizability: 44.440044 Å^3
• Polar Surface Area: 77.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds