N-[(2R)-2-hydroxypropyl]-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide

• ChemBase ID: 222727
• Molecular Formular: C15H19N3O4
• Molecular Mass: 305.32906
• Monoisotopic Mass: 305.1375561
• SMILES: n1(c(nc2c(c1=O)cccc2)C(=O)NC[C@H](O)C)CCOC
• Canonical SMILES: COCCn1c(nc2c(c1=O)cccc2)C(=O)NC[C@H](O)C
• InChI: InChI=1S/C15H19N3O4/c1-10(19)9-16-14(20)13-17-12-6-4-3-5-11(12)15(21)18(13)7-8-22-2/h3-6,10,19H,7-9H2,1-2H3,(H,16,20)/t10-/m1/s1
• InChIKey: PIHKFRZQXDGZPQ-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R)-2-hydroxypropyl]-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide
• IUPAC Traditional name: N-[(2R)-2-hydroxypropyl]-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide

Database IDs

• PubChem SID: 164278637
• PubChem CID: 39378441

CALCULATED PROPERTIES

• Acid pKa: 13.4037285
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.05294107
• LogD (pH = 7.4): 0.052941278
• Log P: 0.05294167
• Molar Refractivity: 82.555 cm^3
• Polarizability: 30.458956 Å^3
• Polar Surface Area: 91.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds