N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine

C119H128N26O10 — CID 160948807

About N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine

N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine (PubChem CID 160948807) has the molecular formula C119H128N26O10 and a molecular weight of 2082.50 g/mol. Its IUPAC name is N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine
• PubChem CID: 160948807
• Molecular Formula: C119H128N26O10
• Molecular Weight: 2082.50 g/mol
• Exact Mass: 2081.03
• IUPAC Name: N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine
• SMILES: COc1cc(OC)cc(N(CCN(C)Cc2ccccc2)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCN(C3CCN(C(C)=O)CC3)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ccccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ccncc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C34H38N6O3.C33H42N8O3.2C26H24N6O2/c1-38(23-25-9-5-4-6-10-25)14-15-39(28-17-29(41-2)20-30(18-28)42-3)27-12-13-31-32(19-27)37-33(22-35-31)26-21-36-40(24-26)34-11-7-8-16-43-34;1-24(42)39-9-7-26(8-10-39)40-14-11-38(12-15-40)13-16-41(28-17-29(43-3)20-30(18-28)44-4)27-5-6-31-32(19-27)36-33(22-34-31)25-21-35-37(2)23-25;1-31-17-19(14-29-31)26-15-28-24-5-4-20(12-25(24)30-26)32(16-18-6-8-27-9-7-18)21-10-22(33-2)13-23(11-21)34-3;1-31-16-18(14-29-31)26-15-28-24-8-7-20(12-25(24)30-26)32(17-19-6-4-5-9-27-19)21-10-22(33-2)13-23(11-21)34-3/h4-6,9-10,12-13,17-22,24,34H,7-8,11,14-16,23H2,1-3H3;5-6,17-23,26H,7-16H2,1-4H3;4-15,17H,16H2,1-3H3;4-16H,17H2,1-3H3
• InChIKey: SVMBWYBIIAVGFE-UHFFFAOYSA-N
• XLogP: 19.86
• TPSA: 326.24 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 34
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2082.50
LogP ≤ 5	19.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine?

The IUPAC name of N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine (CID 160948807) is N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine.

What is the SMILES notation for N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine?

The canonical SMILES for N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine is COc1cc(OC)cc(N(CCN(C)Cc2ccccc2)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCN(C3CCN(C(C)=O)CC3)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ccccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ccncc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine?

The InChIKey is SVMBWYBIIAVGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N6O3.C33H42N8O3.2C26H24N6O2/c1-38(23-25-9-5-4-6-10-25)14-15-39(28-17-29(41-2)20-30(18-28)42-3)27-12-13-31-32(19-27)37-33(22-35-31)26-21-36-40(24-26)34-11-7-8-16-43-34;1-24(42)39-9-7-26(8-10-39)40-14-11-38(12-15-40)13-16-41(28-17-29(43-3)20-30(18-28)44-4)27-5-6-31-32(19-27)36-33(22-34-31)25-21-35-37(2)23-25;1-31-17-19(14-29-31)26-15-28-24-5-4-20(12-25(24)30-26)32(16-18-6-8-27-9-7-18)21-10-22(33-2)13-23(11-21)34-3;1-31-16-18(14-29-31)26-15-28-24-8-7-20(12-25(24)30-26)32(17-19-6-4-5-9-27-19)21-10-22(33-2)13-23(11-21)34-3/h4-6,9-10,12-13,17-22,24,34H,7-8,11,14-16,23H2,1-3H3;5-6,17-23,26H,7-16H2,1-4H3;4-15,17H,16H2,1-3H3;4-16H,17H2,1-3H3.

What are the key properties of N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine?

N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine has a molecular weight of 2082.50 g/mol, XLogP of 19.86, 34 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;1-[4-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]piperidin-1-yl]ethanone;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine is sourced from PubChem (CID 160948807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).