N-[(6-chloro-3-pyridinyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine

C110H124ClN25O10 — CID 159082279

About N-[(6-chloro-3-pyridinyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine

N-[(6-chloro-3-pyridinyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (PubChem CID 159082279) has the molecular formula C110H124ClN25O10 and a molecular weight of 1991.82 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: N-[(6-chloro-3-pyridinyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
• PubChem CID: 159082279
• Molecular Formula: C110H124ClN25O10
• Molecular Weight: 1991.82 g/mol
• Exact Mass: 1989.97
• IUPAC Name: N-[(6-chloro-3-pyridinyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
• SMILES: COc1cc(OC)cc(N(CCCN2[C@H](C)CC[C@@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCC(CCO)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCNC(=O)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ccc(Cl)nc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C29H36N6O3.C29H36N6O2.C26H23ClN6O2.C26H29N7O3/c1-33-20-22(18-31-33)29-19-30-27-5-4-23(16-28(27)32-29)35(24-14-25(37-2)17-26(15-24)38-3)12-11-34-9-6-21(7-10-34)8-13-36;1-20-7-8-21(2)34(20)11-6-12-35(24-13-25(36-4)16-26(14-24)37-5)23-9-10-27-28(15-23)32-29(18-30-27)22-17-31-33(3)19-22;1-32-16-18(13-30-32)25-14-28-23-6-5-19(10-24(23)31-25)33(15-17-4-7-26(27)29-12-17)20-8-21(34-2)11-22(9-20)35-3;1-31-16-18(14-29-31)25-15-28-23-5-4-19(12-24(23)30-25)33(9-8-32-7-6-27-26(34)17-32)20-10-21(35-2)13-22(11-20)36-3/h4-5,14-21,36H,6-13H2,1-3H3;9-10,13-21H,6-8,11-12H2,1-5H3;4-14,16H,15H2,1-3H3;4-5,10-16H,6-9,17H2,1-3H3,(H,27,34)/t;20-,21+
• InChIKey: KAZWIVLUTSATKH-XYKBZOOISA-N
• XLogP: 17.78
• TPSA: 333.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 34
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1991.82
LogP ≤ 5	17.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?

The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (CID 159082279) is N-[(6-chloro-3-pyridinyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.

What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?

The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is COc1cc(OC)cc(N(CCCN2[C@H](C)CC[C@@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCC(CCO)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCNC(=O)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ccc(Cl)nc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?

The InChIKey is KAZWIVLUTSATKH-XYKBZOOISA-N. The full InChI is InChI=1S/C29H36N6O3.C29H36N6O2.C26H23ClN6O2.C26H29N7O3/c1-33-20-22(18-31-33)29-19-30-27-5-4-23(16-28(27)32-29)35(24-14-25(37-2)17-26(15-24)38-3)12-11-34-9-6-21(7-10-34)8-13-36;1-20-7-8-21(2)34(20)11-6-12-35(24-13-25(36-4)16-26(14-24)37-5)23-9-10-27-28(15-23)32-29(18-30-27)22-17-31-33(3)19-22;1-32-16-18(13-30-32)25-14-28-23-6-5-19(10-24(23)31-25)33(15-17-4-7-26(27)29-12-17)20-8-21(34-2)11-22(9-20)35-3;1-31-16-18(14-29-31)25-15-28-23-5-4-19(12-24(23)30-25)33(9-8-32-7-6-27-26(34)17-32)20-10-21(35-2)13-22(11-20)36-3/h4-5,14-21,36H,6-13H2,1-3H3;9-10,13-21H,6-8,11-12H2,1-5H3;4-14,16H,15H2,1-3H3;4-5,10-16H,6-9,17H2,1-3H3,(H,27,34)/t;20-,21+;;.

What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?

N-[(6-chloro-3-pyridinyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine has a molecular weight of 1991.82 g/mol, XLogP of 17.78, 34 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-chloro-3-pyridinyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is sourced from PubChem (CID 159082279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).