1-(7-methoxy-4-methylquinazolin-2-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine

• ChemBase ID: 340404
• Molecular Formular: C22H32N4O2
• Molecular Mass: 384.51508
• Monoisotopic Mass: 384.25252628
• SMILES: c1(nc2c(c(n1)C)ccc(c2)OC)N1CCC(N(CC2OCCCC2)C)CC1
• Canonical SMILES: COc1ccc2c(c1)nc(nc2C)N1CCC(CC1)N(CC1CCCCO1)C
• InChI: InChI=1S/C22H32N4O2/c1-16-20-8-7-18(27-3)14-21(20)24-22(23-16)26-11-9-17(10-12-26)25(2)15-19-6-4-5-13-28-19/h7-8,14,17,19H,4-6,9-13,15H2,1-3H3
• InChIKey: IIDHGMMCKOZUDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(7-methoxy-4-methylquinazolin-2-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: 1-(7-methoxy-4-methylquinazolin-2-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine
• Synonyms: 1-(7-methoxy-4-methyl-2-quinazolinyl)-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.47593194
• LogD (pH = 7.4): 1.0364048
• Log P: 3.075555
• Molar Refractivity: 112.5366 cm^3
• Polarizability: 44.33158 Å^3
• Polar Surface Area: 50.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.95
• LOG S: -3.83
• Polar Surface Area: 50.72 Å^2
• Rotatable Bonds: 4