N-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-[2-(1,3-dioxoisoindol-2-yl)ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide

C115H113Cl2N25O10 — CID 157124315

About N-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-[2-(1,3-dioxoisoindol-2-yl)ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide

N-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-[2-(1,3-dioxoisoindol-2-yl)ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide (PubChem CID 157124315) has the molecular formula C115H113Cl2N25O10 and a molecular weight of 2076.24 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-[2-(1,3-dioxoisoindol-2-yl)ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-[2-(1,3-dioxoisoindol-2-yl)ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide
• PubChem CID: 157124315
• Molecular Formula: C115H113Cl2N25O10
• Molecular Weight: 2076.24 g/mol
• Exact Mass: 2073.85
• IUPAC Name: N-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-[2-(1,3-dioxoisoindol-2-yl)ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide
• SMILES: CNC(=O)c1cc(OC)cc(N(CCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.CNC(=O)c1cc(OC)cc(N(CCN2CCC(N(C)C)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2cccc(Cl)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ccccc2Cl)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C31H27N7O4.C30H38N8O2.2C27H24ClN5O2/c1-32-29(39)19-12-22(14-23(13-19)42-3)37(10-11-38-30(40)24-6-4-5-7-25(24)31(38)41)21-8-9-26-27(15-21)35-28(17-33-26)20-16-34-36(2)18-20;1-31-30(39)21-14-25(16-26(15-21)40-5)38(13-12-37-10-8-23(9-11-37)35(2)3)24-6-7-27-28(17-24)34-29(19-32-27)22-18-33-36(4)20-22;1-32-17-19(14-30-32)27-15-29-25-8-7-21(12-26(25)31-27)33(16-18-5-4-6-20(28)9-18)22-10-23(34-2)13-24(11-22)35-3;1-32-16-19(14-30-32)27-15-29-25-9-8-20(12-26(25)31-27)33(17-18-6-4-5-7-24(18)28)21-10-22(34-2)13-23(11-21)35-3/h4-9,12-18H,10-11H2,1-3H3,(H,32,39);6-7,14-20,23H,8-13H2,1-5H3,(H,31,39);4-15,17H,16H2,1-3H3;4-16H,17H2,1-3H3
• InChIKey: AIIKAKOOZMVDFG-UHFFFAOYSA-N
• XLogP: 19.47
• TPSA: 344.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2076.24
LogP ≤ 5	19.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-[2-(1,3-dioxoisoindol-2-yl)ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-[2-(1,3-dioxoisoindol-2-yl)ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide (CID 157124315) is N-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-[2-(1,3-dioxoisoindol-2-yl)ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-[2-(1,3-dioxoisoindol-2-yl)ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-[2-(1,3-dioxoisoindol-2-yl)ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide is CNC(=O)c1cc(OC)cc(N(CCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.CNC(=O)c1cc(OC)cc(N(CCN2CCC(N(C)C)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2cccc(Cl)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ccccc2Cl)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-[2-(1,3-dioxoisoindol-2-yl)ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide?

The InChIKey is AIIKAKOOZMVDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N7O4.C30H38N8O2.2C27H24ClN5O2/c1-32-29(39)19-12-22(14-23(13-19)42-3)37(10-11-38-30(40)24-6-4-5-7-25(24)31(38)41)21-8-9-26-27(15-21)35-28(17-33-26)20-16-34-36(2)18-20;1-31-30(39)21-14-25(16-26(15-21)40-5)38(13-12-37-10-8-23(9-11-37)35(2)3)24-6-7-27-28(17-24)34-29(19-32-27)22-18-33-36(4)20-22;1-32-17-19(14-30-32)27-15-29-25-8-7-21(12-26(25)31-27)33(16-18-5-4-6-20(28)9-18)22-10-23(34-2)13-24(11-22)35-3;1-32-16-19(14-30-32)27-15-29-25-9-8-20(12-26(25)31-27)33(17-18-6-4-5-7-24(18)28)21-10-22(34-2)13-23(11-21)35-3/h4-9,12-18H,10-11H2,1-3H3,(H,32,39);6-7,14-20,23H,8-13H2,1-5H3,(H,31,39);4-15,17H,16H2,1-3H3;4-16H,17H2,1-3H3.

What are the key properties of N-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-[2-(1,3-dioxoisoindol-2-yl)ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide?

N-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-[2-(1,3-dioxoisoindol-2-yl)ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide has a molecular weight of 2076.24 g/mol, XLogP of 19.47, 31 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-[2-(1,3-dioxoisoindol-2-yl)ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 157124315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).