7-chloro-2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)quinazolin-4-one

C23H14ClF3N2O2 — CID 46370740

IUPAC7-chloro-2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)quinazolin-4-one
SMILESO=c1c2ccc(Cl)cc2nc(/C=C/c2ccc(OC(F)F)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C23H14ClF3N2O2/c24-15-4-11-19-20(13-15)28-21(29(22(19)30)17-7-5-16(25)6-8-17)12-3-14-1-9-18(10-2-14)31-23(26)27/h1-13,23H/b12-3+
InChIKeyQDLMHQDRLGFEGJ-KGVSQERTSA-N
MW442.82 g/mol
LogP5.95
Rot. Bonds5

About 7-chloro-2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)quinazolin-4-one

7-chloro-2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)quinazolin-4-one (PubChem CID 46370740) has the molecular formula C23H14ClF3N2O2 and a molecular weight of 442.82 g/mol. Its IUPAC name is 7-chloro-2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)quinazolin-4-one
PubChem CID46370740
Molecular FormulaC23H14ClF3N2O2
Molecular Weight442.82 g/mol
Exact Mass442.07
IUPAC Name7-chloro-2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)quinazolin-4-one
SMILESO=c1c2ccc(Cl)cc2nc(/C=C/c2ccc(OC(F)F)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C23H14ClF3N2O2/c24-15-4-11-19-20(13-15)28-21(29(22(19)30)17-7-5-16(25)6-8-17)12-3-14-1-9-18(10-2-14)31-23(26)27/h1-13,23H/b12-3+
InChIKeyQDLMHQDRLGFEGJ-KGVSQERTSA-N
XLogP5.95
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.82
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)quinazolin-4-one?
The IUPAC name of 7-chloro-2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)quinazolin-4-one (CID 46370740) is 7-chloro-2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)quinazolin-4-one is O=c1c2ccc(Cl)cc2nc(/C=C/c2ccc(OC(F)F)cc2)n1-c1ccc(F)cc1.
What is the InChIKey of 7-chloro-2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)quinazolin-4-one?
The InChIKey is QDLMHQDRLGFEGJ-KGVSQERTSA-N. The full InChI is InChI=1S/C23H14ClF3N2O2/c24-15-4-11-19-20(13-15)28-21(29(22(19)30)17-7-5-16(25)6-8-17)12-3-14-1-9-18(10-2-14)31-23(26)27/h1-13,23H/b12-3+.
What are the key properties of 7-chloro-2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)quinazolin-4-one?
7-chloro-2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)quinazolin-4-one has a molecular weight of 442.82 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-3-(4-fluorophenyl)quinazolin-4-one is sourced from PubChem (CID 46370740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).