3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one

C24H18ClFN2O3 — CID 20966990

IUPAC3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one
SMILESCOc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)c1OC
InChIInChI=1S/C24H18ClFN2O3/c1-30-21-9-5-6-15(23(21)31-2)10-13-22-27-20-8-4-3-7-17(20)24(29)28(22)16-11-12-19(26)18(25)14-16/h3-14H,1-2H3/b13-10+
InChIKeyIFYJAJAYPUZLAK-JLHYYAGUSA-N
MW436.87 g/mol
LogP5.37
Rot. Bonds5

About 3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one

3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one (PubChem CID 20966990) has the molecular formula C24H18ClFN2O3 and a molecular weight of 436.87 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one
PubChem CID20966990
Molecular FormulaC24H18ClFN2O3
Molecular Weight436.87 g/mol
Exact Mass436.10
IUPAC Name3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one
SMILESCOc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)c1OC
InChIInChI=1S/C24H18ClFN2O3/c1-30-21-9-5-6-15(23(21)31-2)10-13-22-27-20-8-4-3-7-17(20)24(29)28(22)16-11-12-19(26)18(25)14-16/h3-14H,1-2H3/b13-10+
InChIKeyIFYJAJAYPUZLAK-JLHYYAGUSA-N
XLogP5.37
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.87
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one with MolForge

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Related Compounds

2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-3-(3-fluoro-4-methylphenyl)quinazolin-4-one
CID 20966989
3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one
CID 20966993
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-3-(3-methylphenyl)quinazolin-4-one
CID 20966987
3-(3-chloro-4-methoxyphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966826
2-[2-(2-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 2900924
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7334797
3-(3-chloro-4-methoxyphenyl)-2-[(E)-2-(3-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 20966836
2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2862994
3-(3-chlorophenyl)-2-[2-(2-chlorophenyl)ethenyl]quinazolin-4-one
CID 2965083
3-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethenyl]quinazolin-4-one
CID 2978952
3-(5-chloro-2-methoxyphenyl)-2-[(Z)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966914
3-(3,5-dimethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
CID 136507453

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one (CID 20966990) is 3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one is COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)c1OC.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one?
The InChIKey is IFYJAJAYPUZLAK-JLHYYAGUSA-N. The full InChI is InChI=1S/C24H18ClFN2O3/c1-30-21-9-5-6-15(23(21)31-2)10-13-22-27-20-8-4-3-7-17(20)24(29)28(22)16-11-12-19(26)18(25)14-16/h3-14H,1-2H3/b13-10+.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one?
3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one has a molecular weight of 436.87 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 20966990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).