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

C18H16N2O2 — CID 135681137

IUPAC2-[(E)-2-(2-ethoxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCCOc1ccccc1/C=C/c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H16N2O2/c1-2-22-16-10-6-3-7-13(16)11-12-17-19-15-9-5-4-8-14(15)18(21)20-17/h3-12H,2H2,1H3,(H,19,20,21)/b12-11+
InChIKeyDLYHSUKMSSLCQO-VAWYXSNFSA-N
MW292.34 g/mol
LogP3.49
Rot. Bonds4

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

2-[(E)-2-(2-ethoxyphenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135681137) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(2-ethoxyphenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID135681137
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-[(E)-2-(2-ethoxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCCOc1ccccc1/C=C/c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H16N2O2/c1-2-22-16-10-6-3-7-13(16)11-12-17-19-15-9-5-4-8-14(15)18(21)20-17/h3-12H,2H2,1H3,(H,19,20,21)/b12-11+
InChIKeyDLYHSUKMSSLCQO-VAWYXSNFSA-N
XLogP3.49
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-3H-quinazolin-4-one (CID 135681137) is 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-3H-quinazolin-4-one is CCOc1ccccc1/C=C/c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is DLYHSUKMSSLCQO-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-22-16-10-6-3-7-13(16)11-12-17-19-15-9-5-4-8-14(15)18(21)20-17/h3-12H,2H2,1H3,(H,19,20,21)/b12-11+.
What are the key properties of 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-3H-quinazolin-4-one?
2-[(E)-2-(2-ethoxyphenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 292.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135681137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).