3-(7-methoxy-4-methyl-2-oxo-2H-chromen-6-yl)-N-[1-(propan-2-yl)-1H-indol-4-yl]propanamide

• ChemBase ID: 225324
• Molecular Formular: C25H26N2O4
• Molecular Mass: 418.48494
• Monoisotopic Mass: 418.18925732
• SMILES: n1(c2c(cc1)c(NC(=O)CCc1cc3c(oc(=O)cc3C)cc1OC)ccc2)C(C)C
• Canonical SMILES: COc1cc2oc(=O)cc(c2cc1CCC(=O)Nc1cccc2c1ccn2C(C)C)C
• InChI: InChI=1S/C25H26N2O4/c1-15(2)27-11-10-18-20(6-5-7-21(18)27)26-24(28)9-8-17-13-19-16(3)12-25(29)31-23(19)14-22(17)30-4/h5-7,10-15H,8-9H2,1-4H3,(H,26,28)
• InChIKey: GHOMYNONIIKKRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(7-methoxy-4-methyl-2-oxo-2H-chromen-6-yl)-N-[1-(propan-2-yl)-1H-indol-4-yl]propanamide
• IUPAC Traditional name: N-(1-isopropylindol-4-yl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide

Database IDs

• PubChem SID: 164281234
• PubChem CID: 56763536

CALCULATED PROPERTIES

• Acid pKa: 13.248163
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.537523
• LogD (pH = 7.4): 4.5375223
• Log P: 4.537523
• Molar Refractivity: 121.6303 cm^3
• Polarizability: 47.0212 Å^3
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds