N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]hexanamide

• ChemBase ID: 194230
• Molecular Formular: C23H29N3O5
• Molecular Mass: 427.49346
• Monoisotopic Mass: 427.21072104
• SMILES: c12c(nc(NC(=O)CCCCC)nc2)CC(c2cc(c(c(c2)OC)OC)OC)CC1=O
• Canonical SMILES: CCCCCC(=O)Nc1ncc2c(n1)CC(CC2=O)c1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C23H29N3O5/c1-5-6-7-8-21(28)26-23-24-13-16-17(25-23)9-14(10-18(16)27)15-11-19(29-2)22(31-4)20(12-15)30-3/h11-14H,5-10H2,1-4H3,(H,24,25,26,28)
• InChIKey: QIGBZBFBFBVYNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]hexanamide
• IUPAC Traditional name: N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]hexanamide

Database IDs

• PubChem SID: 164250140
• PubChem CID: 3705510

CALCULATED PROPERTIES

• Acid pKa: 11.9383955
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 3.1300774
• LogD (pH = 7.4): 3.130066
• Log P: 3.1300778
• Molar Refractivity: 117.8393 cm^3
• Polarizability: 44.663937 Å^3
• Polar Surface Area: 99.64 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds