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

C16H11ClN2O — CID 135580315

IUPAC2-[(E)-2-(2-chlorophenyl)ethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C=C/c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C16H11ClN2O/c17-13-7-3-1-5-11(13)9-10-15-18-14-8-4-2-6-12(14)16(20)19-15/h1-10H,(H,18,19,20)/b10-9+
InChIKeyGVTQWTBKPKRCFL-MDZDMXLPSA-N
MW282.73 g/mol
LogP3.75
Rot. Bonds2

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

2-[(E)-2-(2-chlorophenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135580315) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-[(E)-2-(2-chlorophenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(2-chlorophenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID135580315
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name2-[(E)-2-(2-chlorophenyl)ethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C=C/c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C16H11ClN2O/c17-13-7-3-1-5-11(13)9-10-15-18-14-8-4-2-6-12(14)16(20)19-15/h1-10H,(H,18,19,20)/b10-9+
InChIKeyGVTQWTBKPKRCFL-MDZDMXLPSA-N
XLogP3.75
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-chlorophenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(2-chlorophenyl)ethenyl]-3H-quinazolin-4-one (CID 135580315) is 2-[(E)-2-(2-chlorophenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(2-chlorophenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(2-chlorophenyl)ethenyl]-3H-quinazolin-4-one is O=c1[nH]c(/C=C/c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-[(E)-2-(2-chlorophenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is GVTQWTBKPKRCFL-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-13-7-3-1-5-11(13)9-10-15-18-14-8-4-2-6-12(14)16(20)19-15/h1-10H,(H,18,19,20)/b10-9+.
What are the key properties of 2-[(E)-2-(2-chlorophenyl)ethenyl]-3H-quinazolin-4-one?
2-[(E)-2-(2-chlorophenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 282.73 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-chlorophenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135580315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).