CHEMBL436839
C₂₂H₂₃ClN₂O₂·382.900 g/mol·CID 135444669
IUPAC: 6-[4-chloro-3-(cyclopropylmethoxy)phenyl]-2-methyl-7-propan-2-yl-3H-quinazolin-4-one
Also known as: SCHEMBL4877255, JERXWDBVRYWKDD-UHFFFAOYSA-N, BDBM50212312, DB-333207, 6(4-chloro-3-cyclopropylmethoxy-phenyl)-7-isopropyl-2-methyl-3H-quinazolin-4-one (+5 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
382.900g/mol
Exact Mass
382.144806Da
Monoisotopic Mass
382.144806Da
XLogP
4.8
Polar Surface Area
50.7Ų
Complexity
589
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
3
Rotatable Bonds
5
Heavy Atoms
27
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 382.9 g/mol
MW ≤ 500
✓ 4.8
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C22H23ClN2O2/c1-12(2)16-10-20-18(22(26)25-13(3)24-20)9-17(16)15-6-7-19(23)21(8-15)27-11-14-4-5-14/h6-10,12,14H,4-5,11H2,1-3H3,(H,24,25,26)