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

C21H20N2O3 — CID 54676603

IUPAC4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)NC(C)c2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C21H20N2O3/c1-3-13-23-17-12-8-7-11-16(17)19(24)18(21(23)26)20(25)22-14(2)15-9-5-4-6-10-15/h3-12,14,24H,1,13H2,2H3,(H,22,25)
InChIKeyVTMGRPSAIFIPRJ-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.38
Rot. Bonds5

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

4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide (PubChem CID 54676603) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide
PubChem CID54676603
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)NC(C)c2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C21H20N2O3/c1-3-13-23-17-12-8-7-11-16(17)19(24)18(21(23)26)20(25)22-14(2)15-9-5-4-6-10-15/h3-12,14,24H,1,13H2,2H3,(H,22,25)
InChIKeyVTMGRPSAIFIPRJ-UHFFFAOYSA-N
XLogP3.38
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
CID 54687736
1-(2-cyanoethyl)-4-hydroxy-2-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
CID 99806670
N-(2-chloroethyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54684051
N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
CID 42804623
3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid
CID 71740510
N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54682095
diethyl-[2-[(4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl]-prop-2-enylazanium iodide
CID 54728780
N-(2-bromo-4-methylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54682097
N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54707022
4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 135632207
2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
CID 23635897
4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 54677764

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide (CID 54676603) is 4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide is C=CCn1c(=O)c(C(=O)NC(C)c2ccccc2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide?
The InChIKey is VTMGRPSAIFIPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-13-23-17-12-8-7-11-16(17)19(24)18(21(23)26)20(25)22-14(2)15-9-5-4-6-10-15/h3-12,14,24H,1,13H2,2H3,(H,22,25).
What are the key properties of 4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide?
4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 54676603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).