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

C17H14N2O2 — CID 135767723

IUPAC2-[(E)-2-(3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCOc1cccc(/C=C/c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C17H14N2O2/c1-21-13-6-4-5-12(11-13)9-10-16-18-15-8-3-2-7-14(15)17(20)19-16/h2-11H,1H3,(H,18,19,20)/b10-9+
InChIKeyASTCWSGSTBEOBE-MDZDMXLPSA-N
MW278.31 g/mol
LogP3.10
Rot. Bonds3

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

2-[(E)-2-(3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135767723) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[(E)-2-(3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID135767723
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-[(E)-2-(3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCOc1cccc(/C=C/c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C17H14N2O2/c1-21-13-6-4-5-12(11-13)9-10-16-18-15-8-3-2-7-14(15)17(20)19-16/h2-11H,1H3,(H,18,19,20)/b10-9+
InChIKeyASTCWSGSTBEOBE-MDZDMXLPSA-N
XLogP3.10
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one (CID 135767723) is 2-[(E)-2-(3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one is COc1cccc(/C=C/c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 2-[(E)-2-(3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is ASTCWSGSTBEOBE-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-13-6-4-5-12(11-13)9-10-16-18-15-8-3-2-7-14(15)17(20)19-16/h2-11H,1H3,(H,18,19,20)/b10-9+.
What are the key properties of 2-[(E)-2-(3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one?
2-[(E)-2-(3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 278.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135767723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).