N-butyl-N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-(2,4-dimethylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine

C104H120FN23O7 — CID 162231321

About N-butyl-N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-(2,4-dimethylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine

N-butyl-N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-(2,4-dimethylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine (PubChem CID 162231321) has the molecular formula C104H120FN23O7 and a molecular weight of 1823.26 g/mol. Its IUPAC name is N-butyl-N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-(2,4-dimethylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine.

Molecular Properties

• Compound Name: N-butyl-N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-(2,4-dimethylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine
• PubChem CID: 162231321
• Molecular Formula: C104H120FN23O7
• Molecular Weight: 1823.26 g/mol
• Exact Mass: 1821.97
• IUPAC Name: N-butyl-N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-(2,4-dimethylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine
• SMILES: CCCCN(c1cc(F)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(CC(C)C)c3)nc2c1.COc1cc(OC)cc(N(CCCNC(C)C)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCn2cc(C)nc2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C28H36N6O2.C27H29N7O2.C26H31N5O2.C23H24FN5O/c1-19(2)29-10-7-11-33(23-12-24(35-5)15-25(13-23)36-6)22-8-9-26-27(14-22)32-28(17-30-26)21-16-31-34(18-21)20(3)4;1-18-16-33(19(2)30-18)8-9-34(22-10-23(35-4)13-24(11-22)36-5)21-6-7-25-26(12-21)31-27(15-28-25)20-14-29-32(3)17-20;1-6-9-31(21-10-22(32-4)13-23(11-21)33-5)20-7-8-24-25(12-20)29-26(15-27-24)19-14-28-30(17-19)16-18(2)3;1-4-5-8-29(19-9-17(24)10-20(11-19)30-3)18-6-7-21-22(12-18)27-23(14-25-21)16-13-26-28(2)15-16/h8-9,12-20,29H,7,10-11H2,1-6H3;6-7,10-17H,8-9H2,1-5H3;7-8,10-15,17-18H,6,9,16H2,1-5H3;6-7,9-15H,4-5,8H2,1-3H3
• InChIKey: ZVLVLOUVUJDENK-UHFFFAOYSA-N
• XLogP: 21.15
• TPSA: 281.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 35
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1823.26
LogP ≤ 5	21.15
H-Bond Donors ≤ 5	1
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 N-butyl-N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-(2,4-dimethylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine?

The IUPAC name of N-butyl-N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-(2,4-dimethylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine (CID 162231321) is N-butyl-N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-(2,4-dimethylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine.

What is the SMILES notation for N-butyl-N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-(2,4-dimethylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine?

The canonical SMILES for N-butyl-N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-(2,4-dimethylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine is CCCCN(c1cc(F)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(CC(C)C)c3)nc2c1.COc1cc(OC)cc(N(CCCNC(C)C)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCn2cc(C)nc2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-butyl-N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-(2,4-dimethylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine?

The InChIKey is ZVLVLOUVUJDENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2.C27H29N7O2.C26H31N5O2.C23H24FN5O/c1-19(2)29-10-7-11-33(23-12-24(35-5)15-25(13-23)36-6)22-8-9-26-27(14-22)32-28(17-30-26)21-16-31-34(18-21)20(3)4;1-18-16-33(19(2)30-18)8-9-34(22-10-23(35-4)13-24(11-22)36-5)21-6-7-25-26(12-21)31-27(15-28-25)20-14-29-32(3)17-20;1-6-9-31(21-10-22(32-4)13-23(11-21)33-5)20-7-8-24-25(12-20)29-26(15-27-24)19-14-28-30(17-19)16-18(2)3;1-4-5-8-29(19-9-17(24)10-20(11-19)30-3)18-6-7-21-22(12-18)27-23(14-25-21)16-13-26-28(2)15-16/h8-9,12-20,29H,7,10-11H2,1-6H3;6-7,10-17H,8-9H2,1-5H3;7-8,10-15,17-18H,6,9,16H2,1-5H3;6-7,9-15H,4-5,8H2,1-3H3.

What are the key properties of N-butyl-N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-(2,4-dimethylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine?

N-butyl-N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-(2,4-dimethylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine has a molecular weight of 1823.26 g/mol, XLogP of 21.15, 35 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-(2,4-dimethylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine is sourced from PubChem (CID 162231321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).