7-fluoro-N-(2H-tetrazol-5-yl)tetrazolo[1,5-a]quinoline-4-carboxamide

C11H6FN9O — CID 59696627

IUPAC7-fluoro-N-(2H-tetrazol-5-yl)tetrazolo[1,5-a]quinoline-4-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cc2cc(F)ccc2n2nnnc12
InChIInChI=1S/C11H6FN9O/c12-6-1-2-8-5(3-6)4-7(9-14-19-20-21(8)9)10(22)13-11-15-17-18-16-11/h1-4H,(H2,13,15,16,17,18,22)
InChIKeyKENOESCXJCMWII-UHFFFAOYSA-N
MW299.23 g/mol
LogP0.18
Rot. Bonds2

About 7-fluoro-N-(2H-tetrazol-5-yl)tetrazolo[1,5-a]quinoline-4-carboxamide

7-fluoro-N-(2H-tetrazol-5-yl)tetrazolo[1,5-a]quinoline-4-carboxamide (PubChem CID 59696627) has the molecular formula C11H6FN9O and a molecular weight of 299.23 g/mol. Its IUPAC name is 7-fluoro-N-(2H-tetrazol-5-yl)tetrazolo[1,5-a]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(2H-tetrazol-5-yl)tetrazolo[1,5-a]quinoline-4-carboxamide
PubChem CID59696627
Molecular FormulaC11H6FN9O
Molecular Weight299.23 g/mol
Exact Mass299.07
IUPAC Name7-fluoro-N-(2H-tetrazol-5-yl)tetrazolo[1,5-a]quinoline-4-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cc2cc(F)ccc2n2nnnc12
InChIInChI=1S/C11H6FN9O/c12-6-1-2-8-5(3-6)4-7(9-14-19-20-21(8)9)10(22)13-11-15-17-18-16-11/h1-4H,(H2,13,15,16,17,18,22)
InChIKeyKENOESCXJCMWII-UHFFFAOYSA-N
XLogP0.18
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2H-tetrazol-5-yl)tetrazolo[1,5-a]quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-(2H-tetrazol-5-yl)tetrazolo[1,5-a]quinoline-4-carboxamide (CID 59696627) is 7-fluoro-N-(2H-tetrazol-5-yl)tetrazolo[1,5-a]quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-(2H-tetrazol-5-yl)tetrazolo[1,5-a]quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-(2H-tetrazol-5-yl)tetrazolo[1,5-a]quinoline-4-carboxamide is O=C(Nc1nn[nH]n1)c1cc2cc(F)ccc2n2nnnc12.
What is the InChIKey of 7-fluoro-N-(2H-tetrazol-5-yl)tetrazolo[1,5-a]quinoline-4-carboxamide?
The InChIKey is KENOESCXJCMWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN9O/c12-6-1-2-8-5(3-6)4-7(9-14-19-20-21(8)9)10(22)13-11-15-17-18-16-11/h1-4H,(H2,13,15,16,17,18,22).
What are the key properties of 7-fluoro-N-(2H-tetrazol-5-yl)tetrazolo[1,5-a]quinoline-4-carboxamide?
7-fluoro-N-(2H-tetrazol-5-yl)tetrazolo[1,5-a]quinoline-4-carboxamide has a molecular weight of 299.23 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2H-tetrazol-5-yl)tetrazolo[1,5-a]quinoline-4-carboxamide is sourced from PubChem (CID 59696627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).