N-{2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl}cyclobutanecarboxamide

• ChemBase ID: 642415
• Molecular Formular: C19H28N4O2
• Molecular Mass: 344.45122
• Monoisotopic Mass: 344.22122616
• SMILES: c1(nc2c(C(NC(=O)C3CCC3)CCC2)cn1)N1CCC(CC1)CO
• Canonical SMILES: OCC1CCN(CC1)c1ncc2c(n1)CCCC2NC(=O)C1CCC1
• InChI: InChI=1S/C19H28N4O2/c24-12-13-7-9-23(10-8-13)19-20-11-15-16(5-2-6-17(15)22-19)21-18(25)14-3-1-4-14/h11,13-14,16,24H,1-10,12H2,(H,21,25)
• InChIKey: UUDVOIHQEDZQQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl}cyclobutanecarboxamide
• IUPAC Traditional name: N-{2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl}cyclobutanecarboxamide
• Synonyms: N-{2-[4-(hydroxymethyl)-1-piperidinyl]-5,6,7,8-tetrahydro-5-quinazolinyl}cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.955933
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.6408112
• LogD (pH = 7.4): 1.6468371
• Log P: 1.6469145
• Molar Refractivity: 97.3146 cm^3
• Polarizability: 36.875874 Å^3
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.01
• LOG S: -4.45
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 4