3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one

C22H13Cl3N2O — CID 3843780

IUPAC3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C=Cc2ccc(Cl)cc2Cl)n1-c1ccccc1Cl
InChIInChI=1S/C22H13Cl3N2O/c23-15-11-9-14(18(25)13-15)10-12-21-26-19-7-3-1-5-16(19)22(28)27(21)20-8-4-2-6-17(20)24/h1-13H
InChIKeyNDNWGXCKTXFYOO-UHFFFAOYSA-N
MW427.72 g/mol
LogP6.52
Rot. Bonds3

About 3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one

3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one (PubChem CID 3843780) has the molecular formula C22H13Cl3N2O and a molecular weight of 427.72 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one
PubChem CID3843780
Molecular FormulaC22H13Cl3N2O
Molecular Weight427.72 g/mol
Exact Mass426.01
IUPAC Name3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C=Cc2ccc(Cl)cc2Cl)n1-c1ccccc1Cl
InChIInChI=1S/C22H13Cl3N2O/c23-15-11-9-14(18(25)13-15)10-12-21-26-19-7-3-1-5-16(19)22(28)27(21)20-8-4-2-6-17(20)24/h1-13H
InChIKeyNDNWGXCKTXFYOO-UHFFFAOYSA-N
XLogP6.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.72
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 6074343
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 7334822
3-(3-chlorophenyl)-2-[2-(2-chlorophenyl)ethenyl]quinazolin-4-one
CID 2965083
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-[4-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-4-oxoquinazolin-3-yl]butyl]quinazolin-4-one
CID 138858437
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7334797
3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
CID 2902132
3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 20966750
3-(2-fluorophenyl)-2-[(Z)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966945
2-[2-(2-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 2900924
2-[2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-chlorophenyl)-6-iodoquinazolin-4-one
CID 4872854
3-(2-chlorophenyl)-2-[(E)-2-(4,6-dimethylpyrimidin-2-yl)ethenyl]-6-fluoroquinazolin-4-one
CID 18363007
3-(2-chlorophenyl)-2-[(E)-2-[6-(ethoxymethyl)-2-pyridinyl]ethenyl]quinazolin-4-one
CID 142644221

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one (CID 3843780) is 3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one is O=c1c2ccccc2nc(C=Cc2ccc(Cl)cc2Cl)n1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one?
The InChIKey is NDNWGXCKTXFYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl3N2O/c23-15-11-9-14(18(25)13-15)10-12-21-26-19-7-3-1-5-16(19)22(28)27(21)20-8-4-2-6-17(20)24/h1-13H.
What are the key properties of 3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one?
3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one has a molecular weight of 427.72 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 3843780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).