4-(morpholin-4-yl)-2-phenylquinazoline hydrochloride

• ChemBase ID: 189497
• Molecular Formular: C18H18ClN3O
• Molecular Mass: 327.80802
• Monoisotopic Mass: 327.11383989
• SMILES: n1c(c2c(nc1c1ccccc1)cccc2)N1CCOCC1.Cl
• Canonical SMILES: O1CCN(CC1)c1nc(nc2c1cccc2)c1ccccc1.Cl
• InChI: InChI=1S/C18H17N3O.ClH/c1-2-6-14(7-3-1)17-19-16-9-5-4-8-15(16)18(20-17)21-10-12-22-13-11-21;/h1-9H,10-13H2;1H
• InChIKey: CUWXETSIRBLINH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-yl)-2-phenylquinazoline hydrochloride
• IUPAC Traditional name: 4-(morpholin-4-yl)-2-phenylquinazoline hydrochloride

Database IDs

• PubChem SID: 164245407
• PubChem CID: 2789483

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.225681
• LogD (pH = 7.4): 4.3208723
• Log P: 4.322233
• Molar Refractivity: 98.0282 cm^3
• Polarizability: 34.851097 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Derivatives of Natural Compounds