8-fluoro-3-oxo-4-(2H-tetrazol-5-ylmethyl)-2H-quinoxaline-1-carboxylic acid

C11H9FN6O3 — CID 57470770

IUPAC8-fluoro-3-oxo-4-(2H-tetrazol-5-ylmethyl)-2H-quinoxaline-1-carboxylic acid
SMILESO=C1CN(C(=O)O)c2c(F)cccc2N1Cc1nn[nH]n1
InChIInChI=1S/C11H9FN6O3/c12-6-2-1-3-7-10(6)18(11(20)21)5-9(19)17(7)4-8-13-15-16-14-8/h1-3H,4-5H2,(H,20,21)(H,13,14,15,16)
InChIKeyZOYBEOBOJJYQGU-UHFFFAOYSA-N
MW292.23 g/mol
LogP0.37
Rot. Bonds2

About 8-fluoro-3-oxo-4-(2H-tetrazol-5-ylmethyl)-2H-quinoxaline-1-carboxylic acid

8-fluoro-3-oxo-4-(2H-tetrazol-5-ylmethyl)-2H-quinoxaline-1-carboxylic acid (PubChem CID 57470770) has the molecular formula C11H9FN6O3 and a molecular weight of 292.23 g/mol. Its IUPAC name is 8-fluoro-3-oxo-4-(2H-tetrazol-5-ylmethyl)-2H-quinoxaline-1-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-3-oxo-4-(2H-tetrazol-5-ylmethyl)-2H-quinoxaline-1-carboxylic acid
PubChem CID57470770
Molecular FormulaC11H9FN6O3
Molecular Weight292.23 g/mol
Exact Mass292.07
IUPAC Name8-fluoro-3-oxo-4-(2H-tetrazol-5-ylmethyl)-2H-quinoxaline-1-carboxylic acid
SMILESO=C1CN(C(=O)O)c2c(F)cccc2N1Cc1nn[nH]n1
InChIInChI=1S/C11H9FN6O3/c12-6-2-1-3-7-10(6)18(11(20)21)5-9(19)17(7)4-8-13-15-16-14-8/h1-3H,4-5H2,(H,20,21)(H,13,14,15,16)
InChIKeyZOYBEOBOJJYQGU-UHFFFAOYSA-N
XLogP0.37
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-amino-5-(2-fluorophenyl)-1-(2H-tetrazol-5-ylmethyl)-3H-1,4-benzodiazepin-2-one
CID 54117531
(2S)-2-amino-N-[(3S)-5-(2-fluorophenyl)-2-oxo-1-(2H-tetrazol-5-ylmethyl)-3H-1,4-benzodiazepin-3-yl]-3-phenylpropanamide
CID 57260324
N-[(3S)-5-(2-fluorophenyl)-2-oxo-1-(2H-tetrazol-5-ylmethyl)-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
CID 57010480
4-(aminomethyl)-N,3-dimethyl-N-(2-thiophen-2-ylphenyl)benzamide;8-fluoro-4-(2-hydroxyethyl)-3-oxo-2H-quinoxaline-1-carboxylic acid
CID 172806869
1-(2-chloro-4-pyrrolidin-1-ylbenzoyl)-4-(2H-tetrazol-5-ylmethyl)-2,5-dihydro-1,4-benzodiazepin-3-one
CID 11590523
2-(7-fluoro-2-methylindazol-3-yl)acetic acid
CID 84722582
N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide
CID 110498051
1-benzyl-7-fluoro-3-hydroxy-3H-indol-2-one
CID 71725717
2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 95715258
3-(6-fluoro-5-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-1-yl)propanoic acid
CID 84640168
1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one
CID 175092025
2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide
CID 71914595

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-oxo-4-(2H-tetrazol-5-ylmethyl)-2H-quinoxaline-1-carboxylic acid?
The IUPAC name of 8-fluoro-3-oxo-4-(2H-tetrazol-5-ylmethyl)-2H-quinoxaline-1-carboxylic acid (CID 57470770) is 8-fluoro-3-oxo-4-(2H-tetrazol-5-ylmethyl)-2H-quinoxaline-1-carboxylic acid.
What is the SMILES notation for 8-fluoro-3-oxo-4-(2H-tetrazol-5-ylmethyl)-2H-quinoxaline-1-carboxylic acid?
The canonical SMILES for 8-fluoro-3-oxo-4-(2H-tetrazol-5-ylmethyl)-2H-quinoxaline-1-carboxylic acid is O=C1CN(C(=O)O)c2c(F)cccc2N1Cc1nn[nH]n1.
What is the InChIKey of 8-fluoro-3-oxo-4-(2H-tetrazol-5-ylmethyl)-2H-quinoxaline-1-carboxylic acid?
The InChIKey is ZOYBEOBOJJYQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN6O3/c12-6-2-1-3-7-10(6)18(11(20)21)5-9(19)17(7)4-8-13-15-16-14-8/h1-3H,4-5H2,(H,20,21)(H,13,14,15,16).
What are the key properties of 8-fluoro-3-oxo-4-(2H-tetrazol-5-ylmethyl)-2H-quinoxaline-1-carboxylic acid?
8-fluoro-3-oxo-4-(2H-tetrazol-5-ylmethyl)-2H-quinoxaline-1-carboxylic acid has a molecular weight of 292.23 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-oxo-4-(2H-tetrazol-5-ylmethyl)-2H-quinoxaline-1-carboxylic acid is sourced from PubChem (CID 57470770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).