2-[2-(2-ethoxy-3-hydroxy-4-pyridinyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one

C24H21N3O3 — CID 137092663

IUPAC2-[2-(2-ethoxy-3-hydroxy-4-pyridinyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
SMILESCCOc1nccc(C=Cc2nc3ccccc3c(=O)n2-c2ccccc2C)c1O
InChIInChI=1S/C24H21N3O3/c1-3-30-23-22(28)17(14-15-25-23)12-13-21-26-19-10-6-5-9-18(19)24(29)27(21)20-11-7-4-8-16(20)2/h4-15,28H,3H2,1-2H3
InChIKeyOVYUHIZXYWISOP-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.36
Rot. Bonds5

About 2-[2-(2-ethoxy-3-hydroxy-4-pyridinyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one

2-[2-(2-ethoxy-3-hydroxy-4-pyridinyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one (PubChem CID 137092663) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[2-(2-ethoxy-3-hydroxy-4-pyridinyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(2-ethoxy-3-hydroxy-4-pyridinyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
PubChem CID137092663
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-[2-(2-ethoxy-3-hydroxy-4-pyridinyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
SMILESCCOc1nccc(C=Cc2nc3ccccc3c(=O)n2-c2ccccc2C)c1O
InChIInChI=1S/C24H21N3O3/c1-3-30-23-22(28)17(14-15-25-23)12-13-21-26-19-10-6-5-9-18(19)24(29)27(21)20-11-7-4-8-16(20)2/h4-15,28H,3H2,1-2H3
InChIKeyOVYUHIZXYWISOP-UHFFFAOYSA-N
XLogP4.36
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(Z)-2-(1-methylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 92912507
2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 135549536
2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 92912509
3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 137106077
2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 3767381
3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one
CID 143457841
3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-2-methyl-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(5-methyl-4-oxo-1H-pyridin-3-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one
CID 158853985
6-chloro-3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
CID 18362976
3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one
CID 3700273
3-(2-fluorophenyl)-2-[(Z)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966945
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 7334822
3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 3756781

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxy-3-hydroxy-4-pyridinyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
The IUPAC name of 2-[2-(2-ethoxy-3-hydroxy-4-pyridinyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one (CID 137092663) is 2-[2-(2-ethoxy-3-hydroxy-4-pyridinyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[2-(2-ethoxy-3-hydroxy-4-pyridinyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[2-(2-ethoxy-3-hydroxy-4-pyridinyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one is CCOc1nccc(C=Cc2nc3ccccc3c(=O)n2-c2ccccc2C)c1O.
What is the InChIKey of 2-[2-(2-ethoxy-3-hydroxy-4-pyridinyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
The InChIKey is OVYUHIZXYWISOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-3-30-23-22(28)17(14-15-25-23)12-13-21-26-19-10-6-5-9-18(19)24(29)27(21)20-11-7-4-8-16(20)2/h4-15,28H,3H2,1-2H3.
What are the key properties of 2-[2-(2-ethoxy-3-hydroxy-4-pyridinyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one?
2-[2-(2-ethoxy-3-hydroxy-4-pyridinyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one has a molecular weight of 399.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxy-3-hydroxy-4-pyridinyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 137092663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).