4-[4-(2,3-dihydro-1H-indene-1-carbonyl)piperazin-1-yl]quinazoline

• ChemBase ID: 692714
• Molecular Formular: C22H22N4O
• Molecular Mass: 358.43628
• Monoisotopic Mass: 358.17936134
• SMILES: c1(c2c(ncn1)cccc2)N1CCN(C(=O)C2c3c(CC2)cccc3)CC1
• Canonical SMILES: O=C(C1CCc2c1cccc2)N1CCN(CC1)c1ncnc2c1cccc2
• InChI: InChI=1S/C22H22N4O/c27-22(18-10-9-16-5-1-2-6-17(16)18)26-13-11-25(12-14-26)21-19-7-3-4-8-20(19)23-15-24-21/h1-8,15,18H,9-14H2
• InChIKey: MGLRYANKCLGVBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(2,3-dihydro-1H-indene-1-carbonyl)piperazin-1-yl]quinazoline
• IUPAC Traditional name: 4-[4-(2,3-dihydro-1H-indene-1-carbonyl)piperazin-1-yl]quinazoline
• Synonyms: 4-[4-(2,3-dihydro-1H-inden-1-ylcarbonyl)-1-piperazinyl]quinazoline

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): 3.562123
• LogD (pH = 7.4): 3.627694
• Log P: 3.6285994
• Molar Refractivity: 106.3993 cm^3
• Polarizability: 41.2807 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 0
• Log P: 2.63
• LOG S: -4.06
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• H Acceptors: 3