2,3,7-trimethyl-5-phenyl-1H-pyrrolo[3,2-g]quinoline

• ChemBase ID: 181303
• Molecular Formular: C20H18N2
• Molecular Mass: 286.37032
• Monoisotopic Mass: 286.14699859
• SMILES: c12c(c(c([nH]1)C)C)cc1c(nc(cc1c1ccccc1)C)c2
• Canonical SMILES: Cc1nc2cc3[nH]c(c(c3cc2c(c1)c1ccccc1)C)C
• InChI: InChI=1S/C20H18N2/c1-12-9-17(15-7-5-4-6-8-15)18-10-16-13(2)14(3)22-19(16)11-20(18)21-12/h4-11,22H,1-3H3
• InChIKey: IRXAHNUNGOHJJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,7-trimethyl-5-phenyl-1H-pyrrolo[3,2-g]quinoline
• IUPAC Traditional name: 2,3,7-trimethyl-5-phenyl-1H-pyrrolo[3,2-g]quinoline

Database IDs

• PubChem SID: 164237213
• PubChem CID: 5572629

CALCULATED PROPERTIES

• Acid pKa: 17.174873
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.71586
• LogD (pH = 7.4): 4.7211723
• Log P: 4.7212405
• Molar Refractivity: 90.9844 cm^3
• Polarizability: 38.758366 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds