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

C22H15FN6O3 — CID 78319433

IUPACN-(2H-benzotriazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2n[nH]nc2c1
InChIInChI=1S/C22H15FN6O3/c1-31-19-10-12(23)6-9-18(19)32-22-20(25-14-4-2-3-5-15(14)26-22)21(30)24-13-7-8-16-17(11-13)28-29-27-16/h2-11H,1H3,(H,24,30)(H,27,28,29)
InChIKeyWMOIYWKZARXCMY-UHFFFAOYSA-N
MW430.40 g/mol
LogP4.09
Rot. Bonds5

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

N-(2H-benzotriazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide (PubChem CID 78319433) has the molecular formula C22H15FN6O3 and a molecular weight of 430.40 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
PubChem CID78319433
Molecular FormulaC22H15FN6O3
Molecular Weight430.40 g/mol
Exact Mass430.12
IUPAC NameN-(2H-benzotriazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2n[nH]nc2c1
InChIInChI=1S/C22H15FN6O3/c1-31-19-10-12(23)6-9-18(19)32-22-20(25-14-4-2-3-5-15(14)26-22)21(30)24-13-7-8-16-17(11-13)28-29-27-16/h2-11H,1H3,(H,24,30)(H,27,28,29)
InChIKeyWMOIYWKZARXCMY-UHFFFAOYSA-N
XLogP4.09
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
The IUPAC name of N-(2H-benzotriazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide (CID 78319433) is N-(2H-benzotriazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2H-benzotriazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
The canonical SMILES for N-(2H-benzotriazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide is COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2n[nH]nc2c1.
What is the InChIKey of N-(2H-benzotriazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
The InChIKey is WMOIYWKZARXCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN6O3/c1-31-19-10-12(23)6-9-18(19)32-22-20(25-14-4-2-3-5-15(14)26-22)21(30)24-13-7-8-16-17(11-13)28-29-27-16/h2-11H,1H3,(H,24,30)(H,27,28,29).
What are the key properties of N-(2H-benzotriazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide?
N-(2H-benzotriazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide has a molecular weight of 430.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide is sourced from PubChem (CID 78319433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).