3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one

C23H17ClN2O — CID 20966750

IUPAC3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
SMILESCc1cc(Cl)ccc1-n1c(/C=C/c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C23H17ClN2O/c1-16-15-18(24)12-13-21(16)26-22(14-11-17-7-3-2-4-8-17)25-20-10-6-5-9-19(20)23(26)27/h2-15H,1H3/b14-11+
InChIKeyYHGSBNFVBWVODI-SDNWHVSQSA-N
MW372.86 g/mol
LogP5.52
Rot. Bonds3

About 3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one

3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one (PubChem CID 20966750) has the molecular formula C23H17ClN2O and a molecular weight of 372.86 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
PubChem CID20966750
Molecular FormulaC23H17ClN2O
Molecular Weight372.86 g/mol
Exact Mass372.10
IUPAC Name3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
SMILESCc1cc(Cl)ccc1-n1c(/C=C/c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C23H17ClN2O/c1-16-15-18(24)12-13-21(16)26-22(14-11-17-7-3-2-4-8-17)25-20-10-6-5-9-19(20)23(26)27/h2-15H,1H3/b14-11+
InChIKeyYHGSBNFVBWVODI-SDNWHVSQSA-N
XLogP5.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.86
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 3756781
3-(4-chloro-2-nitrophenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2958531
2-[(E)-2-(3-fluorophenyl)ethenyl]-3-(4-iodo-2-methylphenyl)quinazolin-4-one
CID 86771450
3-(5-chloro-2-methoxyphenyl)-2-[(Z)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966914
3-[2-methyl-4-[(4-nitrophenyl)diazenyl]phenyl]-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 15217168
3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one
CID 3843780
2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 135549536
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 6074343
3-(5-chloro-2-methoxyphenyl)-2-[(E)-2-(3-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966975
6-chloro-3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
CID 18362976
3-[2-methyl-4-(2-phenylethynyl)phenyl]-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinazolin-4-one
CID 72663279
3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
CID 2902132

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one?
The IUPAC name of 3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one (CID 20966750) is 3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one?
The canonical SMILES for 3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one is Cc1cc(Cl)ccc1-n1c(/C=C/c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one?
The InChIKey is YHGSBNFVBWVODI-SDNWHVSQSA-N. The full InChI is InChI=1S/C23H17ClN2O/c1-16-15-18(24)12-13-21(16)26-22(14-11-17-7-3-2-4-8-17)25-20-10-6-5-9-19(20)23(26)27/h2-15H,1H3/b14-11+.
What are the key properties of 3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one?
3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one has a molecular weight of 372.86 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one is sourced from PubChem (CID 20966750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).