3-(2-{[(2-methoxyphenyl)methyl]amino}ethyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

• ChemBase ID: 129253
• Molecular Formular: C18H19N3O3
• Molecular Mass: 325.36176
• Monoisotopic Mass: 325.14264148
• SMILES: O=c1[nH]c2ccccc2c(=O)n1CCNCc1ccccc1OC
• Canonical SMILES: COc1ccccc1CNCCn1c(=O)[nH]c2c(c1=O)cccc2
• InChI: InChI=1S/C18H19N3O3/c1-24-16-9-5-2-6-13(16)12-19-10-11-21-17(22)14-7-3-4-8-15(14)20-18(21)23/h2-9,19H,10-12H2,1H3,(H,20,23)
• InChIKey: NUAJBITWGGTZCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-{[(2-methoxyphenyl)methyl]amino}ethyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
• IUPAC Traditional name: 3-(2-{[(2-methoxyphenyl)methyl]amino}ethyl)-1H-quinazoline-2,4-dione
• Synonyms: RH-34

Database IDs

• CAS Number: 1028307-48-3
• PubChem SID: 162223547
• PubChem CID: 10041987
• Wikipedia Title: RH-34

CALCULATED PROPERTIES

• Acid pKa: 11.424471
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.07528686
• LogD (pH = 7.4): 1.7707586
• Log P: 2.8230221
• Molar Refractivity: 92.473 cm^3
• Polarizability: 34.63258 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: Uncontrolled