94206-84-5
C₁₆H₁₃ClN₂O·284.740 g/mol·CID 739596
IUPAC: 2-(chloromethyl)-6-methyl-3-oxido-4-phenylquinazolin-3-ium
Also known as: 2-Chloromethyl-6-methyl-4-phenyl-quinazoline 3-oxide, DTXSID20353404, RefChem:259524, DTXCID30304467, 2-(Chloromethyl)-6-methyl-4-phenyl-quinazoline 3-Oxide (+13 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
284.740g/mol
Exact Mass
284.071641Da
Monoisotopic Mass
284.071641Da
XLogP
3.0
Polar Surface Area
38.4Ų
Complexity
322
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
✓ 3.0
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/c1-11-7-8-14-13(9-11)16(12-5-3-2-4-6-12)19(20)15(10-17)18-14/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
4-[(4-chlorophenyl)methyl]-2-methylphthalazin-1-one
CID 11522042 · 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