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

C18H16N2O2 — CID 135519196

IUPAC3-ethyl-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
SMILESCCn1c(/C=C/c2ccc(O)cc2)nc2ccccc2c1=O
InChIInChI=1S/C18H16N2O2/c1-2-20-17(12-9-13-7-10-14(21)11-8-13)19-16-6-4-3-5-15(16)18(20)22/h3-12,21H,2H2,1H3/b12-9+
InChIKeyGAWHGINTRUTPFK-FMIVXFBMSA-N
MW292.34 g/mol
LogP3.29
Rot. Bonds3

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

3-ethyl-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one (PubChem CID 135519196) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-ethyl-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
PubChem CID135519196
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-ethyl-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
SMILESCCn1c(/C=C/c2ccc(O)cc2)nc2ccccc2c1=O
InChIInChI=1S/C18H16N2O2/c1-2-20-17(12-9-13-7-10-14(21)11-8-13)19-16-6-4-3-5-15(16)18(20)22/h3-12,21H,2H2,1H3/b12-9+
InChIKeyGAWHGINTRUTPFK-FMIVXFBMSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one (CID 135519196) is 3-ethyl-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one is CCn1c(/C=C/c2ccc(O)cc2)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one?
The InChIKey is GAWHGINTRUTPFK-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-20-17(12-9-13-7-10-14(21)11-8-13)19-16-6-4-3-5-15(16)18(20)22/h3-12,21H,2H2,1H3/b12-9+.
What are the key properties of 3-ethyl-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one?
3-ethyl-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one has a molecular weight of 292.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 135519196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).