(2R)-2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-3-(1H-indol-3-yl)-N-propylpropanamide

• ChemBase ID: 216696
• Molecular Formular: C22H22N4O3
• Molecular Mass: 390.43508
• Monoisotopic Mass: 390.16919058
• SMILES: n1(c(=O)[nH]c2c(c1=O)cccc2)[C@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC
• Canonical SMILES: CCCNC(=O)[C@H](n1c(=O)[nH]c2c(c1=O)cccc2)Cc1c[nH]c2c1cccc2
• InChI: InChI=1S/C22H22N4O3/c1-2-11-23-20(27)19(12-14-13-24-17-9-5-3-7-15(14)17)26-21(28)16-8-4-6-10-18(16)25-22(26)29/h3-10,13,19,24H,2,11-12H2,1H3,(H,23,27)(H,25,29)/t19-/m1/s1
• InChIKey: BRRNGBILCKBHOM-LJQANCHMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-3-(1H-indol-3-yl)-N-propylpropanamide
• IUPAC Traditional name: (2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)-N-propylpropanamide

Database IDs

• PubChem SID: 164272606
• PubChem CID: 8016278

CALCULATED PROPERTIES

• Log P: 3.7185233
• Molar Refractivity: 110.9483 cm^3
• Polarizability: 42.51747 Å^3
• Polar Surface Area: 94.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 11.371588
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 3.7185228
• LogD (pH = 7.4): 3.7184794

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds