4-chloro-5-(morpholin-4-yl)-2-phenyl-2,3-dihydropyridazin-3-one

• ChemBase ID: 83937
• Molecular Formular: C14H14ClN3O2
• Molecular Mass: 291.73286
• Monoisotopic Mass: 291.07745438
• SMILES: n1(c2ccccc2)c(=O)c(c(N2CCOCC2)cn1)Cl
• Canonical SMILES: Clc1c(cnn(c1=O)c1ccccc1)N1CCOCC1
• InChI: InChI=1S/C14H14ClN3O2/c15-13-12(17-6-8-20-9-7-17)10-16-18(14(13)19)11-4-2-1-3-5-11/h1-5,10H,6-9H2
• InChIKey: RUSJPPATRXXNQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5-(morpholin-4-yl)-2-phenyl-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 4-chloro-5-(morpholin-4-yl)-2-phenylpyridazin-3-one
• Synonyms: 4-chloro-5-morpholino-2-phenylpyridazin-3(2H)-one

Database IDs

• MDL Number: MFCD01438515
• PubChem SID: 162071053
• PubChem CID: 248688

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7025685
• LogD (pH = 7.4): 1.7025701
• Log P: 1.7025701
• Molar Refractivity: 78.1952 cm^3
• Polarizability: 28.990938 Å^3
• Polar Surface Area: 45.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true