6-fluoro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one

C10H6FN5O — CID 135623219

IUPAC6-fluoro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one
SMILESO=c1c(-c2nn[nH]n2)c[nH]c2ccc(F)cc12
InChIInChI=1S/C10H6FN5O/c11-5-1-2-8-6(3-5)9(17)7(4-12-8)10-13-15-16-14-10/h1-4H,(H,12,17)(H,13,14,15,16)
InChIKeyFKDXLSINWVFXIC-UHFFFAOYSA-N
MW231.19 g/mol
LogP0.85
Rot. Bonds1

About 6-fluoro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one

6-fluoro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one (PubChem CID 135623219) has the molecular formula C10H6FN5O and a molecular weight of 231.19 g/mol. Its IUPAC name is 6-fluoro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one
PubChem CID135623219
Molecular FormulaC10H6FN5O
Molecular Weight231.19 g/mol
Exact Mass231.06
IUPAC Name6-fluoro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one
SMILESO=c1c(-c2nn[nH]n2)c[nH]c2ccc(F)cc12
InChIInChI=1S/C10H6FN5O/c11-5-1-2-8-6(3-5)9(17)7(4-12-8)10-13-15-16-14-10/h1-4H,(H,12,17)(H,13,14,15,16)
InChIKeyFKDXLSINWVFXIC-UHFFFAOYSA-N
XLogP0.85
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one (CID 135623219) is 6-fluoro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one is O=c1c(-c2nn[nH]n2)c[nH]c2ccc(F)cc12.
What is the InChIKey of 6-fluoro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one?
The InChIKey is FKDXLSINWVFXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN5O/c11-5-1-2-8-6(3-5)9(17)7(4-12-8)10-13-15-16-14-10/h1-4H,(H,12,17)(H,13,14,15,16).
What are the key properties of 6-fluoro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one?
6-fluoro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one has a molecular weight of 231.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one is sourced from PubChem (CID 135623219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).