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

C16H12N2O — CID 135410232

IUPAC2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C=C/c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H12N2O/c19-16-13-8-4-5-9-14(13)17-15(18-16)11-10-12-6-2-1-3-7-12/h1-11H,(H,17,18,19)/b11-10+
InChIKeyJDEJRLXMWUYMSS-ZHACJKMWSA-N
MW248.29 g/mol
LogP3.09
Rot. Bonds2

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

2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one (PubChem CID 135410232) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one
PubChem CID135410232
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C=C/c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H12N2O/c19-16-13-8-4-5-9-14(13)17-15(18-16)11-10-12-6-2-1-3-7-12/h1-11H,(H,17,18,19)/b11-10+
InChIKeyJDEJRLXMWUYMSS-ZHACJKMWSA-N
XLogP3.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one (CID 135410232) is 2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one is O=c1[nH]c(/C=C/c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one?
The InChIKey is JDEJRLXMWUYMSS-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16-13-8-4-5-9-14(13)17-15(18-16)11-10-12-6-2-1-3-7-12/h1-11H,(H,17,18,19)/b11-10+.
What are the key properties of 2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one?
2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one has a molecular weight of 248.29 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135410232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).