tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine

C106H121ClF3N23O9 — CID 157217561

About tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine

tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine (PubChem CID 157217561) has the molecular formula C106H121ClF3N23O9 and a molecular weight of 1953.73 g/mol. Its IUPAC name is tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine
• PubChem CID: 157217561
• Molecular Formula: C106H121ClF3N23O9
• Molecular Weight: 1953.73 g/mol
• Exact Mass: 1951.94
• IUPAC Name: tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine
• SMILES: CCCN(c1ccc2ncc(-c3cnn(C)c3)nc2c1)c1cc(OC)cc(OC)c1Cl.COc1cc(F)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(CCC2CCN(C(=O)OC(C)(C)C)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNCC(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C32H40N6O4.C26H30F2N6O2.C25H27FN6O.C23H24ClN5O2/c1-32(2,3)42-31(39)37-12-9-22(10-13-37)11-14-38(25-15-26(40-5)18-27(16-25)41-6)24-7-8-28-29(17-24)35-30(20-33-28)23-19-34-36(4)21-23;1-26(27,28)17-29-8-5-9-34(20-10-21(35-3)13-22(11-20)36-4)19-6-7-23-24(12-19)32-25(15-30-23)18-14-31-33(2)16-18;1-33-22-12-19(26)11-21(13-22)32(10-4-9-31-7-2-3-8-31)20-5-6-23-24(14-20)30-25(17-27-23)18-15-28-29-16-18;1-5-8-29(21-10-17(30-3)11-22(31-4)23(21)24)16-6-7-18-19(9-16)27-20(13-25-18)15-12-26-28(2)14-15/h7-8,15-22H,9-14H2,1-6H3;6-7,10-16,29H,5,8-9,17H2,1-4H3;5-6,11-17H,2-4,7-10H2,1H3,(H,28,29);6-7,9-14H,5,8H2,1-4H3
• InChIKey: ASPFDEJOGHOBJP-UHFFFAOYSA-N
• XLogP: 21.08
• TPSA: 307.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1953.73
LogP ≤ 5	21.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine?

The IUPAC name of tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine (CID 157217561) is tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine.

What is the SMILES notation for tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine?

The canonical SMILES for tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine is CCCN(c1ccc2ncc(-c3cnn(C)c3)nc2c1)c1cc(OC)cc(OC)c1Cl.COc1cc(F)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(CCC2CCN(C(=O)OC(C)(C)C)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNCC(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine?

The InChIKey is ASPFDEJOGHOBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O4.C26H30F2N6O2.C25H27FN6O.C23H24ClN5O2/c1-32(2,3)42-31(39)37-12-9-22(10-13-37)11-14-38(25-15-26(40-5)18-27(16-25)41-6)24-7-8-28-29(17-24)35-30(20-33-28)23-19-34-36(4)21-23;1-26(27,28)17-29-8-5-9-34(20-10-21(35-3)13-22(11-20)36-4)19-6-7-23-24(12-19)32-25(15-30-23)18-14-31-33(2)16-18;1-33-22-12-19(26)11-21(13-22)32(10-4-9-31-7-2-3-8-31)20-5-6-23-24(14-20)30-25(17-27-23)18-15-28-29-16-18;1-5-8-29(21-10-17(30-3)11-22(31-4)23(21)24)16-6-7-18-19(9-16)27-20(13-25-18)15-12-26-28(2)14-15/h7-8,15-22H,9-14H2,1-6H3;6-7,10-16,29H,5,8-9,17H2,1-4H3;5-6,11-17H,2-4,7-10H2,1H3,(H,28,29);6-7,9-14H,5,8H2,1-4H3.

What are the key properties of tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine?

tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine has a molecular weight of 1953.73 g/mol, XLogP of 21.08, 34 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-1-carboxylate;N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine is sourced from PubChem (CID 157217561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).