3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one

C23H17ClN2O2 — CID 143457841

IUPAC3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one
SMILESCc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1O
InChIInChI=1S/C23H17ClN2O2/c1-15-5-4-6-16(22(15)27)9-14-21-25-20-8-3-2-7-19(20)23(28)26(21)18-12-10-17(24)11-13-18/h2-14,27H,1H3/b14-9+
InChIKeyUSSQBDPIMIICLQ-NTEUORMPSA-N
MW388.85 g/mol
LogP5.22
Rot. Bonds3

About 3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one

3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one (PubChem CID 143457841) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one
PubChem CID143457841
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC Name3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one
SMILESCc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1O
InChIInChI=1S/C23H17ClN2O2/c1-15-5-4-6-16(22(15)27)9-14-21-25-20-8-3-2-7-19(20)23(28)26(21)18-12-10-17(24)11-13-18/h2-14,27H,1H3/b14-9+
InChIKeyUSSQBDPIMIICLQ-NTEUORMPSA-N
XLogP5.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 137106077
3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one
CID 3700273
2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2862994
3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 135984240
3-(3-chlorophenyl)-2-[2-(2-chlorophenyl)ethenyl]quinazolin-4-one
CID 2965083
2-[2-(1-benzylindol-3-yl)ethenyl]-3-(4-chlorophenyl)quinazolin-4-one
CID 3755492
3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one
CID 554530
3-(3,5-dimethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
CID 136507453
3-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethenyl]quinazolin-4-one
CID 2978952
3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one
CID 20966990
3-(4-methylphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one
CID 2870120
3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-1-ylethenyl]quinazolin-4-one
CID 155527552

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one (CID 143457841) is 3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one is Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1O.
What is the InChIKey of 3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one?
The InChIKey is USSQBDPIMIICLQ-NTEUORMPSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c1-15-5-4-6-16(22(15)27)9-14-21-25-20-8-3-2-7-19(20)23(28)26(21)18-12-10-17(24)11-13-18/h2-14,27H,1H3/b14-9+.
What are the key properties of 3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one?
3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one has a molecular weight of 388.85 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 143457841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).