3-(2-phenylethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one

C23H19N3O — CID 5293677

IUPAC3-(2-phenylethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2cccnc2)n1CCc1ccccc1
InChIInChI=1S/C23H19N3O/c27-23-20-10-4-5-11-21(20)25-22(13-12-19-9-6-15-24-17-19)26(23)16-14-18-7-2-1-3-8-18/h1-13,15,17H,14,16H2/b13-12+
InChIKeyNCXUZDSRDQUWKN-OUKQBFOZSA-N
MW353.43 g/mol
LogP4.20
Rot. Bonds5

About 3-(2-phenylethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one

3-(2-phenylethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one (PubChem CID 5293677) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-(2-phenylethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-phenylethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
PubChem CID5293677
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name3-(2-phenylethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2cccnc2)n1CCc1ccccc1
InChIInChI=1S/C23H19N3O/c27-23-20-10-4-5-11-21(20)25-22(13-12-19-9-6-15-24-17-19)26(23)16-14-18-7-2-1-3-8-18/h1-13,15,17H,14,16H2/b13-12+
InChIKeyNCXUZDSRDQUWKN-OUKQBFOZSA-N
XLogP4.20
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one?
The IUPAC name of 3-(2-phenylethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one (CID 5293677) is 3-(2-phenylethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-phenylethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one?
The canonical SMILES for 3-(2-phenylethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one is O=c1c2ccccc2nc(/C=C/c2cccnc2)n1CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one?
The InChIKey is NCXUZDSRDQUWKN-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H19N3O/c27-23-20-10-4-5-11-21(20)25-22(13-12-19-9-6-15-24-17-19)26(23)16-14-18-7-2-1-3-8-18/h1-13,15,17H,14,16H2/b13-12+.
What are the key properties of 3-(2-phenylethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one?
3-(2-phenylethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one has a molecular weight of 353.43 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one is sourced from PubChem (CID 5293677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).