N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-indazol-6-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-isoindol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)quinoxaline-2-carboxamide

C93H67F4N17O14S — CID 162126735

IUPACN-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-indazol-6-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-isoindol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)quinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2c(c1)C=NC2.COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2cn[nH]c2c1.COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2nc[nH]c2c1.COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C24H17FN4O3.2C23H16FN5O3.C23H18FN3O5S/c1-31-21-11-16(25)7-9-20(21)32-24-22(28-18-4-2-3-5-19(18)29-24)23(30)27-17-8-6-14-12-26-13-15(14)10-17;1-31-20-10-13(24)6-9-19(20)32-23-21(28-16-4-2-3-5-17(16)29-23)22(30)27-14-7-8-15-18(11-14)26-12-25-15;1-31-20-10-14(24)7-9-19(20)32-23-21(27-16-4-2-3-5-17(16)28-23)22(30)26-15-8-6-13-12-25-29-18(13)11-15;1-31-20-12-14(24)10-11-19(20)32-23-21(26-17-8-3-4-9-18(17)27-23)22(28)25-15-6-5-7-16(13-15)33(2,29)30/h2-11,13H,12H2,1H3,(H,27,30);2-12H,1H3,(H,25,26)(H,27,30);2-12H,1H3,(H,25,29)(H,26,30);3-13H,1-2H3,(H,25,28)
InChIKeyZIDBMVIIDBSDEJ-UHFFFAOYSA-N
MW1754.72 g/mol
LogP18.38
Rot. Bonds21

About N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-indazol-6-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-isoindol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)quinoxaline-2-carboxamide

N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-indazol-6-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-isoindol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)quinoxaline-2-carboxamide (PubChem CID 162126735) has the molecular formula C93H67F4N17O14S and a molecular weight of 1754.72 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-indazol-6-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-isoindol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-indazol-6-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-isoindol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)quinoxaline-2-carboxamide
PubChem CID162126735
Molecular FormulaC93H67F4N17O14S
Molecular Weight1754.72 g/mol
Exact Mass1753.47
IUPAC NameN-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-indazol-6-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-isoindol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)quinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2c(c1)C=NC2.COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2cn[nH]c2c1.COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2nc[nH]c2c1.COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C24H17FN4O3.2C23H16FN5O3.C23H18FN3O5S/c1-31-21-11-16(25)7-9-20(21)32-24-22(28-18-4-2-3-5-19(18)29-24)23(30)27-17-8-6-14-12-26-13-15(14)10-17;1-31-20-10-13(24)6-9-19(20)32-23-21(28-16-4-2-3-5-17(16)29-23)22(30)27-14-7-8-15-18(11-14)26-12-25-15;1-31-20-10-14(24)7-9-19(20)32-23-21(27-16-4-2-3-5-17(16)28-23)22(30)26-15-8-6-13-12-25-29-18(13)11-15;1-31-20-12-14(24)10-11-19(20)32-23-21(26-17-8-3-4-9-18(17)27-23)22(28)25-15-6-5-7-16(13-15)33(2,29)30/h2-11,13H,12H2,1H3,(H,27,30);2-12H,1H3,(H,25,26)(H,27,30);2-12H,1H3,(H,25,29)(H,26,30);3-13H,1-2H3,(H,25,28)
InChIKeyZIDBMVIIDBSDEJ-UHFFFAOYSA-N
XLogP18.38
TPSA397.22 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001754.72
LogP ≤ 518.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-indazol-6-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-isoindol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)quinoxaline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-indazol-6-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-isoindol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-indazol-6-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-isoindol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)quinoxaline-2-carboxamide (CID 162126735) is N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-indazol-6-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-isoindol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-indazol-6-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-isoindol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-indazol-6-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-isoindol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)quinoxaline-2-carboxamide is COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2c(c1)C=NC2.COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2cn[nH]c2c1.COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2nc[nH]c2c1.COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-indazol-6-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-isoindol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)quinoxaline-2-carboxamide?
The InChIKey is ZIDBMVIIDBSDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O3.2C23H16FN5O3.C23H18FN3O5S/c1-31-21-11-16(25)7-9-20(21)32-24-22(28-18-4-2-3-5-19(18)29-24)23(30)27-17-8-6-14-12-26-13-15(14)10-17;1-31-20-10-13(24)6-9-19(20)32-23-21(28-16-4-2-3-5-17(16)29-23)22(30)27-14-7-8-15-18(11-14)26-12-25-15;1-31-20-10-14(24)7-9-19(20)32-23-21(27-16-4-2-3-5-17(16)28-23)22(30)26-15-8-6-13-12-25-29-18(13)11-15;1-31-20-12-14(24)10-11-19(20)32-23-21(26-17-8-3-4-9-18(17)27-23)22(28)25-15-6-5-7-16(13-15)33(2,29)30/h2-11,13H,12H2,1H3,(H,27,30);2-12H,1H3,(H,25,26)(H,27,30);2-12H,1H3,(H,25,29)(H,26,30);3-13H,1-2H3,(H,25,28).
What are the key properties of N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-indazol-6-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-isoindol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)quinoxaline-2-carboxamide?
N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-indazol-6-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-isoindol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)quinoxaline-2-carboxamide has a molecular weight of 1754.72 g/mol, XLogP of 18.38, 21 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-indazol-6-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(1H-isoindol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 162126735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).