CHEMBL67457
C₁₆H₁₃ClN₂O·284.740 g/mol·CID 11522042
IUPAC: 4-[(4-chlorophenyl)methyl]-2-methylphthalazin-1-one
Also known as: 4-(4-chlorobenzyl)-2-methylphthalazin-1(2H)-one, 4-[(4-chlorophenyl)methyl]-2-methyl-phthalazin-1-one, BDBM50131411, PD181752, 4-(4-Chloro-benzyl)-2-methyl-2H-phthalazin-1-one (+1 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
284.740g/mol
Exact Mass
284.071641Da
Monoisotopic Mass
284.071641Da
XLogP
3.4
Polar Surface Area
32.7Ų
Complexity
401
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
2
Rotatable Bonds
2
Heavy Atoms
20
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 284.7 g/mol
MW ≤ 500
✓ 3.4
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C16H13ClN2O/c1-19-16(20)14-5-3-2-4-13(14)15(18-19)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3
Isomers8 compounds with formula C₁₆H₁₃ClN₂O
7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 3016 · 284.7 g/mol
5-(4-chlorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
CID 4020 · 284.7 g/mol
3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde
CID 3125367 · 284.7 g/mol
3-(3-chloro-2-methylphenyl)-2-methylquinazolin-4-one
CID 63201 · 284.7 g/mol
6-chloro-5-phenyl-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
CID 213819 · 284.7 g/mol
7-chloro-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 38237 · 284.7 g/mol
3-[(4-chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 12527417 · 284.7 g/mol
2-(chloromethyl)-6-methyl-3-oxido-4-phenylquinazolin-3-ium
CID 739596 · 284.7 g/mol