N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide

C17H13FN2O2 — CID 3617215

IUPACN-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)10-19-17(22)14-9-16(21)20-15-4-2-1-3-13(14)15/h1-9H,10H2,(H,19,22)(H,20,21)
InChIKeySHQCCWOWMLOYHE-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.60
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide

N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 3617215) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID3617215
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)10-19-17(22)14-9-16(21)20-15-4-2-1-3-13(14)15/h1-9H,10H2,(H,19,22)(H,20,21)
InChIKeySHQCCWOWMLOYHE-UHFFFAOYSA-N
XLogP2.60
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26447386
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27761173
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-(2,5-difluorophenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7901301
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 17439492
N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542774
6-fluoro-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 166210771
N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 34687096
N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 28934807
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42886342
N-(2,3-dihydroxy-2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide
CID 66168370

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide (CID 3617215) is N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is SHQCCWOWMLOYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)10-19-17(22)14-9-16(21)20-15-4-2-1-3-13(14)15/h1-9H,10H2,(H,19,22)(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 296.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 3617215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).