3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide

C17H12FN7O3 — CID 78319432

IUPAC3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1nn[nH]n1
InChIInChI=1S/C17H12FN7O3/c1-27-13-8-9(18)6-7-12(13)28-16-14(15(26)21-17-22-24-25-23-17)19-10-4-2-3-5-11(10)20-16/h2-8H,1H3,(H2,21,22,23,24,25,26)
InChIKeyDAYWNRVVMMSBKX-UHFFFAOYSA-N
MW381.33 g/mol
LogP2.34
Rot. Bonds5

About 3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide

3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide (PubChem CID 78319432) has the molecular formula C17H12FN7O3 and a molecular weight of 381.33 g/mol. Its IUPAC name is 3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
PubChem CID78319432
Molecular FormulaC17H12FN7O3
Molecular Weight381.33 g/mol
Exact Mass381.10
IUPAC Name3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1nn[nH]n1
InChIInChI=1S/C17H12FN7O3/c1-27-13-8-9(18)6-7-12(13)28-16-14(15(26)21-17-22-24-25-23-17)19-10-4-2-3-5-11(10)20-16/h2-8H,1H3,(H2,21,22,23,24,25,26)
InChIKeyDAYWNRVVMMSBKX-UHFFFAOYSA-N
XLogP2.34
TPSA127.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide?
The IUPAC name of 3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide (CID 78319432) is 3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for 3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide?
The canonical SMILES for 3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide is COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1nn[nH]n1.
What is the InChIKey of 3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide?
The InChIKey is DAYWNRVVMMSBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN7O3/c1-27-13-8-9(18)6-7-12(13)28-16-14(15(26)21-17-22-24-25-23-17)19-10-4-2-3-5-11(10)20-16/h2-8H,1H3,(H2,21,22,23,24,25,26).
What are the key properties of 3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide?
3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide has a molecular weight of 381.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 78319432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).