N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

• ChemBase ID: 266979
• Molecular Formular: C20H20N4O
• Molecular Mass: 332.399
• Monoisotopic Mass: 332.16371128
• SMILES: c12n(nc(c2)C)c2c(c(n1)NCCc1ccc(cc1)OC)cccc2
• Canonical SMILES: COc1ccc(cc1)CCNc1nc2cc(nn2c2c1cccc2)C
• InChI: InChI=1S/C20H20N4O/c1-14-13-19-22-20(17-5-3-4-6-18(17)24(19)23-14)21-12-11-15-7-9-16(25-2)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,21,22)
• InChIKey: GOBVVIAEKVBMQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
• IUPAC Traditional name: N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
• Synonyms: N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

Database IDs

• MDL Number: MFCD07686657
• PubChem SID: 164322889
• PubChem CID: 8850813

CALCULATED PROPERTIES

• Acid pKa: 18.8904
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.7258143
• LogD (pH = 7.4): 3.725918
• Log P: 3.7259195
• Molar Refractivity: 111.0309 cm^3
• Polarizability: 38.527187 Å^3
• Polar Surface Area: 51.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.659

Product Information

• Purity: 95%