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

C20H17FN2O3 — CID 54706965

IUPACN-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)Nc2ccc(C)c(F)c2)c(O)c2ccccc21
InChIInChI=1S/C20H17FN2O3/c1-3-10-23-16-7-5-4-6-14(16)18(24)17(20(23)26)19(25)22-13-9-8-12(2)15(21)11-13/h3-9,11,24H,1,10H2,2H3,(H,22,25)
InChIKeyOEQVCBCRAZPEOD-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.59
Rot. Bonds4

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

N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide (PubChem CID 54706965) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
PubChem CID54706965
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)Nc2ccc(C)c(F)c2)c(O)c2ccccc21
InChIInChI=1S/C20H17FN2O3/c1-3-10-23-16-7-5-4-6-14(16)18(24)17(20(23)26)19(25)22-13-9-8-12(2)15(21)11-13/h3-9,11,24H,1,10H2,2H3,(H,22,25)
InChIKeyOEQVCBCRAZPEOD-UHFFFAOYSA-N
XLogP3.59
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide (CID 54706965) is N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide is C=CCn1c(=O)c(C(=O)Nc2ccc(C)c(F)c2)c(O)c2ccccc21.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The InChIKey is OEQVCBCRAZPEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-3-10-23-16-7-5-4-6-14(16)18(24)17(20(23)26)19(25)22-13-9-8-12(2)15(21)11-13/h3-9,11,24H,1,10H2,2H3,(H,22,25).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 54706965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).