2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one

C23H18N2O3 — CID 135419118

IUPAC2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
SMILESCOc1cccc(-n2c(/C=C/c3ccccc3O)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H18N2O3/c1-28-18-9-6-8-17(15-18)25-22(14-13-16-7-2-5-12-21(16)26)24-20-11-4-3-10-19(20)23(25)27/h2-15,26H,1H3/b14-13+
InChIKeyJBNLZYZHPDVSKU-BUHFOSPRSA-N
MW370.41 g/mol
LogP4.27
Rot. Bonds4

About 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one

2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one (PubChem CID 135419118) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
PubChem CID135419118
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
SMILESCOc1cccc(-n2c(/C=C/c3ccccc3O)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H18N2O3/c1-28-18-9-6-8-17(15-18)25-22(14-13-16-7-2-5-12-21(16)26)24-20-11-4-3-10-19(20)23(25)27/h2-15,26H,1H3/b14-13+
InChIKeyJBNLZYZHPDVSKU-BUHFOSPRSA-N
XLogP4.27
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one (CID 135419118) is 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one is COc1cccc(-n2c(/C=C/c3ccccc3O)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one?
The InChIKey is JBNLZYZHPDVSKU-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-28-18-9-6-8-17(15-18)25-22(14-13-16-7-2-5-12-21(16)26)24-20-11-4-3-10-19(20)23(25)27/h2-15,26H,1H3/b14-13+.
What are the key properties of 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one?
2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one has a molecular weight of 370.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 135419118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).