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

C21H15N3O2 — CID 78321191

IUPAC3-(3-hydroxyphenyl)-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2ccncc2)n1-c1cccc(O)c1
InChIInChI=1S/C21H15N3O2/c25-17-5-3-4-16(14-17)24-20(9-8-15-10-12-22-13-11-15)23-19-7-2-1-6-18(19)21(24)26/h1-14,25H/b9-8+
InChIKeyVUYFTRAQVCEKBB-CMDGGOBGSA-N
MW341.37 g/mol
LogP3.66
Rot. Bonds3

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

3-(3-hydroxyphenyl)-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one (PubChem CID 78321191) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one
PubChem CID78321191
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name3-(3-hydroxyphenyl)-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2ccncc2)n1-c1cccc(O)c1
InChIInChI=1S/C21H15N3O2/c25-17-5-3-4-16(14-17)24-20(9-8-15-10-12-22-13-11-15)23-19-7-2-1-6-18(19)21(24)26/h1-14,25H/b9-8+
InChIKeyVUYFTRAQVCEKBB-CMDGGOBGSA-N
XLogP3.66
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-((2-((3-Hydroxyphenyl)amino)pyrimidin-4-yl)amino)benzamide
CID 16058637
(R)-2h [PMID:19625189]
CID 135948915
2-({2-[(3-Hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 23647251
N,N-diethyl-4-((3-hydroxyphenyl)(1-(2-(pyridin-2-yl)ethyl)piperidin-4-yl)amino)benzamide
CID 45486018
3-(3-Hydroxyphenyl)-2-phenylquinazolin-4-one
CID 708940
2-Hydroxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (4-pyridin-3-yl-butyl)-amide
CID 13557477
5-[[2-Aminoethyl(methyl)amino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 124167759
5-[[2-Aminoethyl(ethyl)amino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 124168074
2-(2-Hydroxy-phenyl)-3-phenethyl-5-trifluoromethyl-3H-pyrido[4,3-d]pyri-midin-4-one
CID 135749855
2-(3-Fluoro-2-hydroxyphenyl)-3-(2-phenylethyl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948913
M5I9BC1J6V
CID 135948916
3-[2-(2-Fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135965932

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one?
The IUPAC name of 3-(3-hydroxyphenyl)-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one (CID 78321191) is 3-(3-hydroxyphenyl)-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-hydroxyphenyl)-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one?
The canonical SMILES for 3-(3-hydroxyphenyl)-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one is O=c1c2ccccc2nc(/C=C/c2ccncc2)n1-c1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one?
The InChIKey is VUYFTRAQVCEKBB-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-17-5-3-4-16(14-17)24-20(9-8-15-10-12-22-13-11-15)23-19-7-2-1-6-18(19)21(24)26/h1-14,25H/b9-8+.
What are the key properties of 3-(3-hydroxyphenyl)-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one?
3-(3-hydroxyphenyl)-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one has a molecular weight of 341.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one is sourced from PubChem (CID 78321191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).