(E)-4-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]but-3-enoic acid

C18H14N2O4 — CID 178071032

IUPAC(E)-4-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]but-3-enoic acid
SMILESO=C(O)C/C=C/c1cccc2c(=O)[nH]c(-c3ccc(O)cc3)nc12
InChIInChI=1S/C18H14N2O4/c21-13-9-7-12(8-10-13)17-19-16-11(4-2-6-15(22)23)3-1-5-14(16)18(24)20-17/h1-5,7-10,21H,6H2,(H,22,23)(H,19,20,24)/b4-2+
InChIKeyWGQDLGLGXSATCZ-DUXPYHPUSA-N
MW322.32 g/mol
LogP2.78
Rot. Bonds4

About (E)-4-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]but-3-enoic acid

(E)-4-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]but-3-enoic acid (PubChem CID 178071032) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is (E)-4-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]but-3-enoic acid.

Molecular Properties

Compound Name(E)-4-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]but-3-enoic acid
PubChem CID178071032
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name(E)-4-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]but-3-enoic acid
SMILESO=C(O)C/C=C/c1cccc2c(=O)[nH]c(-c3ccc(O)cc3)nc12
InChIInChI=1S/C18H14N2O4/c21-13-9-7-12(8-10-13)17-19-16-11(4-2-6-15(22)23)3-1-5-14(16)18(24)20-17/h1-5,7-10,21H,6H2,(H,22,23)(H,19,20,24)/b4-2+
InChIKeyWGQDLGLGXSATCZ-DUXPYHPUSA-N
XLogP2.78
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (E)-4-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]but-3-enoic acid with MolForge

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Related Compounds

4(3H)-Quinazolinone, 2-(2-hydroxyphenyl)-
CID 135458774
2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2)
CID 135405744
8-Hydroxy-2-phenyl-3H-quinazolin-4-one
CID 135528341
2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135407310
2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135471354
8-Hydroxy-2-(4-Methylphenyl)-3,4-Dihydroquinazolin-4-One
CID 135566973
2-(3,4-Dihydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 135501581
2-(2,5-dihydroxyphenyl)-3H-quinazolin-4-one
CID 136044079
2-(3-hydroxyphenyl)quinazolin-4(3H)-one
CID 135567246
2-{3-[4-(4-Hydroxy-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-propyl}-3H-quinazolin-4-one
CID 135495133
4(1h)-Quinazolinone,8-hydroxy-2-(4-hydroxyphenyl)-
CID 135513650
2-(4-fluorophenyl)-8-hydroxyquinazolin-4(3H)-one
CID 136372378

Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]but-3-enoic acid?
The IUPAC name of (E)-4-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]but-3-enoic acid (CID 178071032) is (E)-4-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]but-3-enoic acid.
What is the SMILES notation for (E)-4-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]but-3-enoic acid?
The canonical SMILES for (E)-4-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]but-3-enoic acid is O=C(O)C/C=C/c1cccc2c(=O)[nH]c(-c3ccc(O)cc3)nc12.
What is the InChIKey of (E)-4-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]but-3-enoic acid?
The InChIKey is WGQDLGLGXSATCZ-DUXPYHPUSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-13-9-7-12(8-10-13)17-19-16-11(4-2-6-15(22)23)3-1-5-14(16)18(24)20-17/h1-5,7-10,21H,6H2,(H,22,23)(H,19,20,24)/b4-2+.
What are the key properties of (E)-4-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]but-3-enoic acid?
(E)-4-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]but-3-enoic acid has a molecular weight of 322.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]but-3-enoic acid is sourced from PubChem (CID 178071032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).