8-hydroxy-N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxo-1H-quinoline-2-carboxamide

C18H14N2O4 — CID 11529865

IUPAC8-hydroxy-N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESO=C(N/C=C\c1ccc(O)cc1)c1cc(=O)c2cccc(O)c2[nH]1
InChIInChI=1S/C18H14N2O4/c21-12-6-4-11(5-7-12)8-9-19-18(24)14-10-16(23)13-2-1-3-15(22)17(13)20-14/h1-10,21-22H,(H,19,24)(H,20,23)/b9-8-
InChIKeyKWKWBUHGGDKPDV-HJWRWDBZSA-N
MW322.32 g/mol
LogP2.34
Rot. Bonds3

About 8-hydroxy-N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxo-1H-quinoline-2-carboxamide

8-hydroxy-N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 11529865) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 8-hydroxy-N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound Name8-hydroxy-N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxo-1H-quinoline-2-carboxamide
PubChem CID11529865
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name8-hydroxy-N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESO=C(N/C=C\c1ccc(O)cc1)c1cc(=O)c2cccc(O)c2[nH]1
InChIInChI=1S/C18H14N2O4/c21-12-6-4-11(5-7-12)8-9-19-18(24)14-10-16(23)13-2-1-3-15(22)17(13)20-14/h1-10,21-22H,(H,19,24)(H,20,23)/b9-8-
InChIKeyKWKWBUHGGDKPDV-HJWRWDBZSA-N
XLogP2.34
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of 8-hydroxy-N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxo-1H-quinoline-2-carboxamide (CID 11529865) is 8-hydroxy-N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for 8-hydroxy-N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for 8-hydroxy-N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxo-1H-quinoline-2-carboxamide is O=C(N/C=C\c1ccc(O)cc1)c1cc(=O)c2cccc(O)c2[nH]1.
What is the InChIKey of 8-hydroxy-N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is KWKWBUHGGDKPDV-HJWRWDBZSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-12-6-4-11(5-7-12)8-9-19-18(24)14-10-16(23)13-2-1-3-15(22)17(13)20-14/h1-10,21-22H,(H,19,24)(H,20,23)/b9-8-.
What are the key properties of 8-hydroxy-N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxo-1H-quinoline-2-carboxamide?
8-hydroxy-N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 11529865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).