N-(cyclopropylmethyl)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine

• ChemBase ID: 562347
• Molecular Formular: C19H25FN4
• Molecular Mass: 328.4270032
• Monoisotopic Mass: 328.20632504
• SMILES: c1(nc(c2c(n1)ccc(c2)F)C)N1CCC(NCC2CC2)CCC1
• Canonical SMILES: Fc1ccc2c(c1)c(C)nc(n2)N1CCCC(CC1)NCC1CC1
• InChI: InChI=1S/C19H25FN4/c1-13-17-11-15(20)6-7-18(17)23-19(22-13)24-9-2-3-16(8-10-24)21-12-14-4-5-14/h6-7,11,14,16,21H,2-5,8-10,12H2,1H3
• InChIKey: NEYYGUXUSASAFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine
• IUPAC Traditional name: N-(cyclopropylmethyl)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine
• Synonyms: N-(cyclopropylmethyl)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.18456404
• LogD (pH = 7.4): 0.45240077
• Log P: 3.4276626
• Molar Refractivity: 94.726 cm^3
• Polarizability: 37.08332 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.53
• LOG S: -4.96
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 4