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

C23H16Cl2N2O — CID 71833929

IUPAC2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C=Cc2ccc(Cl)cc2)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl2N2O/c24-18-10-5-16(6-11-18)9-14-22-26-21-4-2-1-3-20(21)23(28)27(22)15-17-7-12-19(25)13-8-17/h1-14H,15H2
InChIKeyJXMLBUNTPKHLPK-UHFFFAOYSA-N
MW407.30 g/mol
LogP5.92
Rot. Bonds4

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

2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one (PubChem CID 71833929) has the molecular formula C23H16Cl2N2O and a molecular weight of 407.30 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one
PubChem CID71833929
Molecular FormulaC23H16Cl2N2O
Molecular Weight407.30 g/mol
Exact Mass406.06
IUPAC Name2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C=Cc2ccc(Cl)cc2)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl2N2O/c24-18-10-5-16(6-11-18)9-14-22-26-21-4-2-1-3-20(21)23(28)27(22)15-17-7-12-19(25)13-8-17/h1-14H,15H2
InChIKeyJXMLBUNTPKHLPK-UHFFFAOYSA-N
XLogP5.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.30
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
CID 53245568
3-benzyl-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one
CID 53245550
2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
CID 3719210
2-(2-phenylethenyl)-3-(2-phenylethyl)quinazolin-4-one
CID 2940266
3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
CID 53245528
3-(2-hydroxyethyl)-2-(2-phenylethenyl)quinazolin-4-one
CID 71374590
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
3-benzyl-2-[(E)-2-(1H-indol-3-yl)ethenyl]quinazolin-4-one
CID 135408354
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879525
3-benzyl-2-[2-(1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one
CID 3849018
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556
3-benzyl-2-[2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one
CID 3274004

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one?
The IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one (CID 71833929) is 2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one is O=c1c2ccccc2nc(C=Cc2ccc(Cl)cc2)n1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one?
The InChIKey is JXMLBUNTPKHLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O/c24-18-10-5-16(6-11-18)9-14-22-26-21-4-2-1-3-20(21)23(28)27(22)15-17-7-12-19(25)13-8-17/h1-14H,15H2.
What are the key properties of 2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one?
2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one has a molecular weight of 407.30 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 71833929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).