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

C18H15ClN2O — CID 6247184

IUPAC2-[(E)-2-(2-chlorophenyl)ethenyl]-3-ethylquinazolin-4-one
SMILESCCn1c(/C=C/c2ccccc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C18H15ClN2O/c1-2-21-17(12-11-13-7-3-5-9-15(13)19)20-16-10-6-4-8-14(16)18(21)22/h3-12H,2H2,1H3/b12-11+
InChIKeyWDAGXHGFHWUQAP-VAWYXSNFSA-N
MW310.78 g/mol
LogP4.24
Rot. Bonds3

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

2-[(E)-2-(2-chlorophenyl)ethenyl]-3-ethylquinazolin-4-one (PubChem CID 6247184) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-ethylquinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(2-chlorophenyl)ethenyl]-3-ethylquinazolin-4-one
PubChem CID6247184
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name2-[(E)-2-(2-chlorophenyl)ethenyl]-3-ethylquinazolin-4-one
SMILESCCn1c(/C=C/c2ccccc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C18H15ClN2O/c1-2-21-17(12-11-13-7-3-5-9-15(13)19)20-16-10-6-4-8-14(16)18(21)22/h3-12H,2H2,1H3/b12-11+
InChIKeyWDAGXHGFHWUQAP-VAWYXSNFSA-N
XLogP4.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-ethylquinazolin-4-one?
The IUPAC name of 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-ethylquinazolin-4-one (CID 6247184) is 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-ethylquinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-ethylquinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-ethylquinazolin-4-one is CCn1c(/C=C/c2ccccc2Cl)nc2ccccc2c1=O.
What is the InChIKey of 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-ethylquinazolin-4-one?
The InChIKey is WDAGXHGFHWUQAP-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H15ClN2O/c1-2-21-17(12-11-13-7-3-5-9-15(13)19)20-16-10-6-4-8-14(16)18(21)22/h3-12H,2H2,1H3/b12-11+.
What are the key properties of 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-ethylquinazolin-4-one?
2-[(E)-2-(2-chlorophenyl)ethenyl]-3-ethylquinazolin-4-one has a molecular weight of 310.78 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-ethylquinazolin-4-one is sourced from PubChem (CID 6247184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).