4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide

C19H16N2O4 — CID 54676443

IUPAC4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)Nc2cccc(O)c2)c(O)c2ccccc21
InChIInChI=1S/C19H16N2O4/c1-2-10-21-15-9-4-3-8-14(15)17(23)16(19(21)25)18(24)20-12-6-5-7-13(22)11-12/h2-9,11,22-23H,1,10H2,(H,20,24)
InChIKeyIPYYVXJPQIWITJ-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.85
Rot. Bonds4

About 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide

4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide (PubChem CID 54676443) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide
PubChem CID54676443
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)Nc2cccc(O)c2)c(O)c2ccccc21
InChIInChI=1S/C19H16N2O4/c1-2-10-21-15-9-4-3-8-14(15)17(23)16(19(21)25)18(24)20-12-6-5-7-13(22)11-12/h2-9,11,22-23H,1,10H2,(H,20,24)
InChIKeyIPYYVXJPQIWITJ-UHFFFAOYSA-N
XLogP2.85
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide (CID 54676443) is 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide is C=CCn1c(=O)c(C(=O)Nc2cccc(O)c2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The InChIKey is IPYYVXJPQIWITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-2-10-21-15-9-4-3-8-14(15)17(23)16(19(21)25)18(24)20-12-6-5-7-13(22)11-12/h2-9,11,22-23H,1,10H2,(H,20,24).
What are the key properties of 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 54676443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).