6-fluoro-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide

C19H13FN4O3 — CID 166210771

IUPAC6-fluoro-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCc1ccc(-c2nnco2)cc1)c1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C19H13FN4O3/c20-13-5-6-16-14(7-13)15(8-17(25)23-16)18(26)21-9-11-1-3-12(4-2-11)19-24-22-10-27-19/h1-8,10H,9H2,(H,21,26)(H,23,25)
InChIKeyGYHGWDZSVQVHAY-UHFFFAOYSA-N
MW364.34 g/mol
LogP2.65
Rot. Bonds4

About 6-fluoro-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide

6-fluoro-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 166210771) has the molecular formula C19H13FN4O3 and a molecular weight of 364.34 g/mol. Its IUPAC name is 6-fluoro-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID166210771
Molecular FormulaC19H13FN4O3
Molecular Weight364.34 g/mol
Exact Mass364.10
IUPAC Name6-fluoro-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCc1ccc(-c2nnco2)cc1)c1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C19H13FN4O3/c20-13-5-6-16-14(7-13)15(8-17(25)23-16)18(26)21-9-11-1-3-12(4-2-11)19-24-22-10-27-19/h1-8,10H,9H2,(H,21,26)(H,23,25)
InChIKeyGYHGWDZSVQVHAY-UHFFFAOYSA-N
XLogP2.65
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
6-fluoro-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-quinoline-4-carboxamide
CID 91770461
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 91795880
6-fluoro-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 91780401
6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 86286424
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27761173
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26447386
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 77085775
6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 66497668
N-(2,4-difluorophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9078558
N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-pyrimidin-5-yl-1H-pyridine-4-carboxamide
CID 54706729
2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 8927292

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide (CID 166210771) is 6-fluoro-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide is O=C(NCc1ccc(-c2nnco2)cc1)c1cc(=O)[nH]c2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is GYHGWDZSVQVHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O3/c20-13-5-6-16-14(7-13)15(8-17(25)23-16)18(26)21-9-11-1-3-12(4-2-11)19-24-22-10-27-19/h1-8,10H,9H2,(H,21,26)(H,23,25).
What are the key properties of 6-fluoro-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
6-fluoro-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 364.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 166210771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).