N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(4-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide

C90H61F4N17O13 — CID 159906522

IUPACN-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(4-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(C#N)cc1.COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccc(C#N)c1.COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccnc1
InChIInChI=1S/C23H16FN5O4.2C23H15FN4O3.C21H15FN4O3/c1-32-19-10-12(24)6-9-18(19)33-22-20(26-14-4-2-3-5-15(14)27-22)21(30)25-13-7-8-16-17(11-13)29-23(31)28-16;1-30-20-12-15(24)9-10-19(20)31-23-21(27-17-7-2-3-8-18(17)28-23)22(29)26-16-6-4-5-14(11-16)13-25;1-30-20-12-15(24)8-11-19(20)31-23-21(27-17-4-2-3-5-18(17)28-23)22(29)26-16-9-6-14(13-25)7-10-16;1-28-18-11-13(22)8-9-17(18)29-21-19(20(27)24-14-5-4-10-23-12-14)25-15-6-2-3-7-16(15)26-21/h2-11H,1H3,(H,25,30)(H2,28,29,31);2*2-12H,1H3,(H,26,29);2-12H,1H3,(H,24,27)
InChIKeyNWQKKHCLHUZKNN-UHFFFAOYSA-N
MW1664.58 g/mol
LogP17.60
Rot. Bonds20

About N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(4-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide

N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(4-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide (PubChem CID 159906522) has the molecular formula C90H61F4N17O13 and a molecular weight of 1664.58 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(4-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(4-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide
PubChem CID159906522
Molecular FormulaC90H61F4N17O13
Molecular Weight1664.58 g/mol
Exact Mass1663.46
IUPAC NameN-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(4-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(C#N)cc1.COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccc(C#N)c1.COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccnc1
InChIInChI=1S/C23H16FN5O4.2C23H15FN4O3.C21H15FN4O3/c1-32-19-10-12(24)6-9-18(19)33-22-20(26-14-4-2-3-5-15(14)27-22)21(30)25-13-7-8-16-17(11-13)29-23(31)28-16;1-30-20-12-15(24)9-10-19(20)31-23-21(27-17-7-2-3-8-18(17)28-23)22(29)26-16-6-4-5-14(11-16)13-25;1-30-20-12-15(24)8-11-19(20)31-23-21(27-17-4-2-3-5-18(17)28-23)22(29)26-16-9-6-14(13-25)7-10-16;1-28-18-11-13(22)8-9-17(18)29-21-19(20(27)24-14-5-4-10-23-12-14)25-15-6-2-3-7-16(15)26-21/h2-11H,1H3,(H,25,30)(H2,28,29,31);2*2-12H,1H3,(H,26,29);2-12H,1H3,(H,24,27)
InChIKeyNWQKKHCLHUZKNN-UHFFFAOYSA-N
XLogP17.60
TPSA402.48 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001664.58
LogP ≤ 517.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(4-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide with MolForge

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Related Compounds

3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide
CID 78319525
N-(3H-benzimidazol-5-yl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
CID 78319468
N-(4-acetylphenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(3-ethynylphenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydroindol-6-yl)quinoxaline-2-carboxamide
CID 159499754
3-(4-fluoro-2-methoxyphenoxy)-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
CID 78319432
N-(4-ethynyl-2-pyridinyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide
CID 118376009
5-fluoro-2-methoxy-N-pyridin-3-ylbenzamide
CID 34947016
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319872
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
N-(3-cyanophenyl)-7-methoxy-1H-indole-2-carboxamide
CID 110864739
3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 78319770
3-(2,4-difluorophenoxy)-N-(3-sulfinamoylphenyl)quinoxaline-2-carboxamide
CID 144678750

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(4-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(4-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide (CID 159906522) is N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(4-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(4-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(4-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide is COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(C#N)cc1.COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccc(C#N)c1.COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccnc1.
What is the InChIKey of N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(4-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide?
The InChIKey is NWQKKHCLHUZKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O4.2C23H15FN4O3.C21H15FN4O3/c1-32-19-10-12(24)6-9-18(19)33-22-20(26-14-4-2-3-5-15(14)27-22)21(30)25-13-7-8-16-17(11-13)29-23(31)28-16;1-30-20-12-15(24)9-10-19(20)31-23-21(27-17-7-2-3-8-18(17)28-23)22(29)26-16-6-4-5-14(11-16)13-25;1-30-20-12-15(24)8-11-19(20)31-23-21(27-17-4-2-3-5-18(17)28-23)22(29)26-16-9-6-14(13-25)7-10-16;1-28-18-11-13(22)8-9-17(18)29-21-19(20(27)24-14-5-4-10-23-12-14)25-15-6-2-3-7-16(15)26-21/h2-11H,1H3,(H,25,30)(H2,28,29,31);2*2-12H,1H3,(H,26,29);2-12H,1H3,(H,24,27).
What are the key properties of N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(4-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide?
N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(4-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide has a molecular weight of 1664.58 g/mol, XLogP of 17.60, 20 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;N-(4-cyanophenyl)-3-(4-fluoro-2-methoxyphenoxy)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)quinoxaline-2-carboxamide;3-(4-fluoro-2-methoxyphenoxy)-N-pyridin-3-ylquinoxaline-2-carboxamide is sourced from PubChem (CID 159906522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).