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

C19H16N2O4 — CID 54676763

IUPAC4-hydroxy-N-(2-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)Nc2ccccc2O)c(O)c2ccccc21
InChIInChI=1S/C19H16N2O4/c1-2-11-21-14-9-5-3-7-12(14)17(23)16(19(21)25)18(24)20-13-8-4-6-10-15(13)22/h2-10,22-23H,1,11H2,(H,20,24)
InChIKeyNPXKTBYOGCWHNX-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.85
Rot. Bonds4

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

4-hydroxy-N-(2-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide (PubChem CID 54676763) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-hydroxy-N-(2-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide
PubChem CID54676763
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name4-hydroxy-N-(2-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)Nc2ccccc2O)c(O)c2ccccc21
InChIInChI=1S/C19H16N2O4/c1-2-11-21-14-9-5-3-7-12(14)17(23)16(19(21)25)18(24)20-13-8-4-6-10-15(13)22/h2-10,22-23H,1,11H2,(H,20,24)
InChIKeyNPXKTBYOGCWHNX-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': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(2-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide (CID 54676763) is 4-hydroxy-N-(2-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(2-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(2-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide is C=CCn1c(=O)c(C(=O)Nc2ccccc2O)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-N-(2-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The InChIKey is NPXKTBYOGCWHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-2-11-21-14-9-5-3-7-12(14)17(23)16(19(21)25)18(24)20-13-8-4-6-10-15(13)22/h2-10,22-23H,1,11H2,(H,20,24).
What are the key properties of 4-hydroxy-N-(2-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
4-hydroxy-N-(2-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-(2-hydroxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 54676763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).