3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one

C25H22N2O3 — CID 136648633

IUPAC3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
SMILESCCc1cccc(-n2c(C=Cc3cccc(OC)c3O)nc3ccccc3c2=O)c1
InChIInChI=1S/C25H22N2O3/c1-3-17-8-6-10-19(16-17)27-23(26-21-12-5-4-11-20(21)25(27)29)15-14-18-9-7-13-22(30-2)24(18)28/h4-16,28H,3H2,1-2H3
InChIKeyBSGVHJNWXVYWQD-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.83
Rot. Bonds5

About 3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one

3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one (PubChem CID 136648633) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
PubChem CID136648633
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
SMILESCCc1cccc(-n2c(C=Cc3cccc(OC)c3O)nc3ccccc3c2=O)c1
InChIInChI=1S/C25H22N2O3/c1-3-17-8-6-10-19(16-17)27-23(26-21-12-5-4-11-20(21)25(27)29)15-14-18-9-7-13-22(30-2)24(18)28/h4-16,28H,3H2,1-2H3
InChIKeyBSGVHJNWXVYWQD-UHFFFAOYSA-N
XLogP4.83
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2862994
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-(3,5-dimethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
CID 136507453
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-3-(3-methylphenyl)quinazolin-4-one
CID 20966987
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 632826
3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one
CID 20966993
2-[2-(2-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 2900924
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-3-(3-fluoro-4-methylphenyl)quinazolin-4-one
CID 20966989
3-(3-chloro-4-fluorophenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one
CID 20966990
[2-[(E)-2-[3-(2-ethyl-6-methoxyphenyl)-4-oxoquinazolin-2-yl]ethenyl]-6-methoxyphenyl] acetate
CID 89224763
2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
CID 92967429

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one (CID 136648633) is 3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one is CCc1cccc(-n2c(C=Cc3cccc(OC)c3O)nc3ccccc3c2=O)c1.
What is the InChIKey of 3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one?
The InChIKey is BSGVHJNWXVYWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-3-17-8-6-10-19(16-17)27-23(26-21-12-5-4-11-20(21)25(27)29)15-14-18-9-7-13-22(30-2)24(18)28/h4-16,28H,3H2,1-2H3.
What are the key properties of 3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one?
3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one has a molecular weight of 398.46 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 136648633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).