N-butyl-N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoxalin-6-amine

C108H123F3N24O6 — CID 158697435

About N-butyl-N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoxalin-6-amine

N-butyl-N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoxalin-6-amine (PubChem CID 158697435) has the molecular formula C108H123F3N24O6 and a molecular weight of 1910.33 g/mol. Its IUPAC name is N-butyl-N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: N-butyl-N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoxalin-6-amine
• PubChem CID: 158697435
• Molecular Formula: C108H123F3N24O6
• Molecular Weight: 1910.33 g/mol
• Exact Mass: 1909.00
• IUPAC Name: N-butyl-N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoxalin-6-amine
• SMILES: CCCCN(c1cc(CN(CC)CC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.COc1cc(F)cc(N(CCCNCC(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCCC2(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2cccnc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C29H36N6O2.C28H36N6O.C26H24N6O2.C25H27F3N6O/c1-29(2)10-6-11-34(29)12-7-13-35(23-14-24(36-4)17-25(15-23)37-5)22-8-9-26-27(16-22)32-28(19-30-26)21-18-31-33(3)20-21;1-6-9-12-34(24-13-21(14-25(15-24)35-5)19-33(7-2)8-3)23-10-11-26-27(16-23)31-28(18-29-26)22-17-30-32(4)20-22;1-31-17-19(14-29-31)26-15-28-24-7-6-20(11-25(24)30-26)32(16-18-5-4-8-27-13-18)21-9-22(33-2)12-23(10-21)34-3;1-25(27,28)16-29-7-4-8-34(20-9-18(26)10-21(11-20)35-3)19-5-6-22-23(12-19)32-24(14-30-22)17-13-31-33(2)15-17/h8-9,14-20H,6-7,10-13H2,1-5H3;10-11,13-18,20H,6-9,12,19H2,1-5H3;4-15,17H,16H2,1-3H3;5-6,9-15,29H,4,7-8,16H2,1-3H3
• InChIKey: IHCYAKIARCSMKV-UHFFFAOYSA-N
• XLogP: 21.00
• TPSA: 274.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 37
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1910.33
LogP ≤ 5	21.00
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-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoxalin-6-amine?

The IUPAC name of N-butyl-N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoxalin-6-amine (CID 158697435) is N-butyl-N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoxalin-6-amine.

What is the SMILES notation for N-butyl-N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoxalin-6-amine?

The canonical SMILES for N-butyl-N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoxalin-6-amine is CCCCN(c1cc(CN(CC)CC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.COc1cc(F)cc(N(CCCNCC(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCCC2(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2cccnc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-butyl-N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoxalin-6-amine?

The InChIKey is IHCYAKIARCSMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O2.C28H36N6O.C26H24N6O2.C25H27F3N6O/c1-29(2)10-6-11-34(29)12-7-13-35(23-14-24(36-4)17-25(15-23)37-5)22-8-9-26-27(16-22)32-28(19-30-26)21-18-31-33(3)20-21;1-6-9-12-34(24-13-21(14-25(15-24)35-5)19-33(7-2)8-3)23-10-11-26-27(16-23)31-28(18-29-26)22-17-30-32(4)20-22;1-31-17-19(14-29-31)26-15-28-24-7-6-20(11-25(24)30-26)32(16-18-5-4-8-27-13-18)21-9-22(33-2)12-23(10-21)34-3;1-25(27,28)16-29-7-4-8-34(20-9-18(26)10-21(11-20)35-3)19-5-6-22-23(12-19)32-24(14-30-22)17-13-31-33(2)15-17/h8-9,14-20H,6-7,10-13H2,1-5H3;10-11,13-18,20H,6-9,12,19H2,1-5H3;4-15,17H,16H2,1-3H3;5-6,9-15,29H,4,7-8,16H2,1-3H3.

What are the key properties of N-butyl-N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoxalin-6-amine?

N-butyl-N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoxalin-6-amine has a molecular weight of 1910.33 g/mol, XLogP of 21.00, 37 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-N-[3-(diethylaminomethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,2-difluoropropyl)-N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)quinoxalin-6-amine is sourced from PubChem (CID 158697435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).