6-fluoro-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-quinoline-4-carboxamide

C18H13FN6O2 — CID 91770461

IUPAC6-fluoro-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-quinoline-4-carboxamide
SMILESO=C(NCc1cccc(-c2nn[nH]n2)c1)c1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C18H13FN6O2/c19-12-4-5-15-13(7-12)14(8-16(26)21-15)18(27)20-9-10-2-1-3-11(6-10)17-22-24-25-23-17/h1-8H,9H2,(H,20,27)(H,21,26)(H,22,23,24,25)
InChIKeyBOYWKGVWCOBFIH-UHFFFAOYSA-N
MW364.34 g/mol
LogP1.78
Rot. Bonds4

About 6-fluoro-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-quinoline-4-carboxamide

6-fluoro-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-quinoline-4-carboxamide (PubChem CID 91770461) has the molecular formula C18H13FN6O2 and a molecular weight of 364.34 g/mol. Its IUPAC name is 6-fluoro-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-quinoline-4-carboxamide
PubChem CID91770461
Molecular FormulaC18H13FN6O2
Molecular Weight364.34 g/mol
Exact Mass364.11
IUPAC Name6-fluoro-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-quinoline-4-carboxamide
SMILESO=C(NCc1cccc(-c2nn[nH]n2)c1)c1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C18H13FN6O2/c19-12-4-5-15-13(7-12)14(8-16(26)21-15)18(27)20-9-10-2-1-3-11(6-10)17-22-24-25-23-17/h1-8H,9H2,(H,20,27)(H,21,26)(H,22,23,24,25)
InChIKeyBOYWKGVWCOBFIH-UHFFFAOYSA-N
XLogP1.78
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-N-[[4-(1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 166210771
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 91795880
methyl 3-[[(6-bromo-2-oxo-1H-quinoline-4-carbonyl)amino]methyl]benzoate
CID 166490177
5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
CID 21014400
6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 66497668
(1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 125447493
6-fluoro-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 91780401
(3R)-1-(4-fluorophenyl)-2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
CID 143848689
N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 91764192
6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 86286424
N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 34687096

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-quinoline-4-carboxamide (CID 91770461) is 6-fluoro-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-quinoline-4-carboxamide is O=C(NCc1cccc(-c2nn[nH]n2)c1)c1cc(=O)[nH]c2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-quinoline-4-carboxamide?
The InChIKey is BOYWKGVWCOBFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O2/c19-12-4-5-15-13(7-12)14(8-16(26)21-15)18(27)20-9-10-2-1-3-11(6-10)17-22-24-25-23-17/h1-8H,9H2,(H,20,27)(H,21,26)(H,22,23,24,25).
What are the key properties of 6-fluoro-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-quinoline-4-carboxamide?
6-fluoro-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-quinoline-4-carboxamide has a molecular weight of 364.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 91770461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).