N-(3,5-dimethoxyphenyl)-N-[3-(2-methylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine

C81H95N19O7 — CID 157246612

About N-(3,5-dimethoxyphenyl)-N-[3-(2-methylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine

N-(3,5-dimethoxyphenyl)-N-[3-(2-methylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine (PubChem CID 157246612) has the molecular formula C81H95N19O7 and a molecular weight of 1446.78 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-N-[3-(2-methylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: N-(3,5-dimethoxyphenyl)-N-[3-(2-methylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine
• PubChem CID: 157246612
• Molecular Formula: C81H95N19O7
• Molecular Weight: 1446.78 g/mol
• Exact Mass: 1445.77
• IUPAC Name: N-(3,5-dimethoxyphenyl)-N-[3-(2-methylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine
• SMILES: COc1cc(OC)cc(N(CCCN2CCOCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCn2ccnc2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1
• InChI: InChI=1S/C27H29N7O2.C27H32N6O3.C27H34N6O2/c1-19-28-8-11-33(19)9-5-10-34(22-12-23(35-3)15-24(13-22)36-4)21-6-7-25-26(14-21)31-27(17-29-25)20-16-30-32(2)18-20;1-31-19-20(17-29-31)27-18-28-25-6-5-21(15-26(25)30-27)33(8-4-7-32-9-11-36-12-10-32)22-13-23(34-2)16-24(14-22)35-3;1-18(2)28-9-10-32(22-11-23(34-5)14-24(12-22)35-6)21-7-8-25-26(13-21)31-27(16-29-25)20-15-30-33(17-20)19(3)4/h6-8,11-18H,5,9-10H2,1-4H3;5-6,13-19H,4,7-12H2,1-3H3;7-8,11-19,28H,9-10H2,1-6H3
• InChIKey: AVVQOVAMJHESEU-UHFFFAOYSA-N
• XLogP: 13.92
• TPSA: 238.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1446.78
LogP ≤ 5	13.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-N-[3-(2-methylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?

The IUPAC name of N-(3,5-dimethoxyphenyl)-N-[3-(2-methylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine (CID 157246612) is N-(3,5-dimethoxyphenyl)-N-[3-(2-methylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine.

What is the SMILES notation for N-(3,5-dimethoxyphenyl)-N-[3-(2-methylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?

The canonical SMILES for N-(3,5-dimethoxyphenyl)-N-[3-(2-methylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine is COc1cc(OC)cc(N(CCCN2CCOCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCn2ccnc2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.

What is the InChIKey of N-(3,5-dimethoxyphenyl)-N-[3-(2-methylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?

The InChIKey is AVVQOVAMJHESEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2.C27H32N6O3.C27H34N6O2/c1-19-28-8-11-33(19)9-5-10-34(22-12-23(35-3)15-24(13-22)36-4)21-6-7-25-26(14-21)31-27(17-29-25)20-16-30-32(2)18-20;1-31-19-20(17-29-31)27-18-28-25-6-5-21(15-26(25)30-27)33(8-4-7-32-9-11-36-12-10-32)22-13-23(34-2)16-24(14-22)35-3;1-18(2)28-9-10-32(22-11-23(34-5)14-24(12-22)35-6)21-7-8-25-26(13-21)31-27(16-29-25)20-15-30-33(17-20)19(3)4/h6-8,11-18H,5,9-10H2,1-4H3;5-6,13-19H,4,7-12H2,1-3H3;7-8,11-19,28H,9-10H2,1-6H3.

What are the key properties of N-(3,5-dimethoxyphenyl)-N-[3-(2-methylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?

N-(3,5-dimethoxyphenyl)-N-[3-(2-methylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine has a molecular weight of 1446.78 g/mol, XLogP of 13.92, 28 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethoxyphenyl)-N-[3-(2-methylimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine is sourced from PubChem (CID 157246612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).