N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[7-(N-butyl-3-fluoro-5-methoxyanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;(2R)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-2-carboxylic acid;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]quinoxalin-6-amine;sulfane

C102H117FN22O10S — CID 159373729

About N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[7-(N-butyl-3-fluoro-5-methoxyanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;(2R)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-2-carboxylic acid;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]quinoxalin-6-amine;sulfane

N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[7-(N-butyl-3-fluoro-5-methoxyanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;(2R)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-2-carboxylic acid;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]quinoxalin-6-amine;sulfane (PubChem CID 159373729) has the molecular formula C102H117FN22O10S and a molecular weight of 1862.27 g/mol. Its IUPAC name is N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[7-(N-butyl-3-fluoro-5-methoxyanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;(2R)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-2-carboxylic acid;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]quinoxalin-6-amine;sulfane.

Molecular Properties

• Compound Name: N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[7-(N-butyl-3-fluoro-5-methoxyanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;(2R)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-2-carboxylic acid;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]quinoxalin-6-amine;sulfane
• PubChem CID: 159373729
• Molecular Formula: C102H117FN22O10S
• Molecular Weight: 1862.27 g/mol
• Exact Mass: 1860.90
• IUPAC Name: N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[7-(N-butyl-3-fluoro-5-methoxyanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;(2R)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-2-carboxylic acid;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]quinoxalin-6-amine;sulfane
• SMILES: CCCCN(c1cc(F)cc(OC)c1)c1ccc2ncc(-c3cnn(CCO)c3)nc2c1.CCCCN(c1ccc2ncc(-c3cnn(C)c3)nc2c1)c1cc(OC)ccc1OC.COc1cc(OC)cc(N(CCN2CCC(C)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCC[C@@H]2C(=O)O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.S
• InChI: InChI=1S/C27H30N6O4.C27H32N6O2.C24H26FN5O2.C24H27N5O2.H2S/c1-31-17-18(15-29-31)25-16-28-23-7-6-19(13-24(23)30-25)33(10-9-32-8-4-5-26(32)27(34)35)20-11-21(36-2)14-22(12-20)37-3;1-19-7-8-32(17-19)9-10-33(22-11-23(34-3)14-24(12-22)35-4)21-5-6-25-26(13-21)30-27(16-28-25)20-15-29-31(2)18-20;1-3-4-7-30(20-10-18(25)11-21(12-20)32-2)19-5-6-22-23(13-19)28-24(15-26-22)17-14-27-29(16-17)8-9-31;1-5-6-11-29(23-13-19(30-3)8-10-24(23)31-4)18-7-9-20-21(12-18)27-22(15-25-20)17-14-26-28(2)16-17;/h6-7,11-17,26H,4-5,8-10H2,1-3H3,(H,34,35);5-6,11-16,18-19H,7-10,17H2,1-4H3;5-6,10-16,31H,3-4,7-9H2,1-2H3;7-10,12-16H,5-6,11H2,1-4H3;1H2/t26-;;;;/m1..../s1
• InChIKey: LKBAXGGXWKIHML-SSMZTGFVSA-N
• XLogP: 17.93
• TPSA: 315.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 34
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1862.27
LogP ≤ 5	17.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[7-(N-butyl-3-fluoro-5-methoxyanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;(2R)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-2-carboxylic acid;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]quinoxalin-6-amine;sulfane?

The IUPAC name of N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[7-(N-butyl-3-fluoro-5-methoxyanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;(2R)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-2-carboxylic acid;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]quinoxalin-6-amine;sulfane (CID 159373729) is N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[7-(N-butyl-3-fluoro-5-methoxyanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;(2R)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-2-carboxylic acid;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]quinoxalin-6-amine;sulfane.

What is the SMILES notation for N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[7-(N-butyl-3-fluoro-5-methoxyanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;(2R)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-2-carboxylic acid;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]quinoxalin-6-amine;sulfane?

The canonical SMILES for N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[7-(N-butyl-3-fluoro-5-methoxyanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;(2R)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-2-carboxylic acid;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]quinoxalin-6-amine;sulfane is CCCCN(c1cc(F)cc(OC)c1)c1ccc2ncc(-c3cnn(CCO)c3)nc2c1.CCCCN(c1ccc2ncc(-c3cnn(C)c3)nc2c1)c1cc(OC)ccc1OC.COc1cc(OC)cc(N(CCN2CCC(C)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCC[C@@H]2C(=O)O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.S.

What is the InChIKey of N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[7-(N-butyl-3-fluoro-5-methoxyanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;(2R)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-2-carboxylic acid;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]quinoxalin-6-amine;sulfane?

The InChIKey is LKBAXGGXWKIHML-SSMZTGFVSA-N. The full InChI is InChI=1S/C27H30N6O4.C27H32N6O2.C24H26FN5O2.C24H27N5O2.H2S/c1-31-17-18(15-29-31)25-16-28-23-7-6-19(13-24(23)30-25)33(10-9-32-8-4-5-26(32)27(34)35)20-11-21(36-2)14-22(12-20)37-3;1-19-7-8-32(17-19)9-10-33(22-11-23(34-3)14-24(12-22)35-4)21-5-6-25-26(13-21)30-27(16-28-25)20-15-29-31(2)18-20;1-3-4-7-30(20-10-18(25)11-21(12-20)32-2)19-5-6-22-23(13-19)28-24(15-26-22)17-14-27-29(16-17)8-9-31;1-5-6-11-29(23-13-19(30-3)8-10-24(23)31-4)18-7-9-20-21(12-18)27-22(15-25-20)17-14-26-28(2)16-17;/h6-7,11-17,26H,4-5,8-10H2,1-3H3,(H,34,35);5-6,11-16,18-19H,7-10,17H2,1-4H3;5-6,10-16,31H,3-4,7-9H2,1-2H3;7-10,12-16H,5-6,11H2,1-4H3;1H2/t26-;;;;/m1..../s1.

What are the key properties of N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[7-(N-butyl-3-fluoro-5-methoxyanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;(2R)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-2-carboxylic acid;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]quinoxalin-6-amine;sulfane?

N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[7-(N-butyl-3-fluoro-5-methoxyanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;(2R)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-2-carboxylic acid;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]quinoxalin-6-amine;sulfane has a molecular weight of 1862.27 g/mol, XLogP of 17.93, 34 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[7-(N-butyl-3-fluoro-5-methoxyanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;(2R)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-2-carboxylic acid;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]quinoxalin-6-amine;sulfane is sourced from PubChem (CID 159373729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).