3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one

C24H20N2O2 — CID 3756781

IUPAC3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
SMILESCc1ccc(-n2c(C=Cc3ccc(O)cc3)nc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C24H20N2O2/c1-16-7-13-22(17(2)15-16)26-23(14-10-18-8-11-19(27)12-9-18)25-21-6-4-3-5-20(21)24(26)28/h3-15,27H,1-2H3
InChIKeyREQSHIWDPMGDTB-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.88
Rot. Bonds3

About 3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one

3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one (PubChem CID 3756781) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
PubChem CID3756781
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
SMILESCc1ccc(-n2c(C=Cc3ccc(O)cc3)nc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C24H20N2O2/c1-16-7-13-22(17(2)15-16)26-23(14-10-18-8-11-19(27)12-9-18)25-21-6-4-3-5-20(21)24(26)28/h3-15,27H,1-2H3
InChIKeyREQSHIWDPMGDTB-UHFFFAOYSA-N
XLogP4.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 20966750
3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2928566
2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 135549536
2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one
CID 69101971
2-[2-(4-hydroxyphenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
CID 3776041
3-(4-chloro-2-nitrophenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2958531
2-[2-(3,4-dihydroxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 2880218
3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide
CID 118858186
2-[(E)-2-(3-fluorophenyl)ethenyl]-3-(4-iodo-2-methylphenyl)quinazolin-4-one
CID 86771450
3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
CID 21143
3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 5168342
2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 6306933

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one (CID 3756781) is 3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one is Cc1ccc(-n2c(C=Cc3ccc(O)cc3)nc3ccccc3c2=O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one?
The InChIKey is REQSHIWDPMGDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-16-7-13-22(17(2)15-16)26-23(14-10-18-8-11-19(27)12-9-18)25-21-6-4-3-5-20(21)24(26)28/h3-15,27H,1-2H3.
What are the key properties of 3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one?
3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one has a molecular weight of 368.44 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 3756781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).