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

C112H104N22O10S — CID 160764017

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

N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)quinoxalin-6-amine;3-[2-(1,3-dioxoisoindol-2-yl)ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide (PubChem CID 160764017) has the molecular formula C112H104N22O10S and a molecular weight of 1950.27 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)quinoxalin-6-amine;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-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)quinoxalin-6-amine;3-[2-(1,3-dioxoisoindol-2-yl)ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide
• PubChem CID: 160764017
• Molecular Formula: C112H104N22O10S
• Molecular Weight: 1950.27 g/mol
• Exact Mass: 1948.80
• IUPAC Name: N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)quinoxalin-6-amine;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.COc1cc(OC)cc(N(Cc2ccc(C)cc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ccccc2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2cccs2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C31H27N7O4.2C28H27N5O2.C25H23N5O2S/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;1-19-5-7-20(8-6-19)17-33(23-11-24(34-3)14-25(12-23)35-4)22-9-10-26-27(13-22)31-28(16-29-26)21-15-30-32(2)18-21;1-19-7-5-6-8-20(19)18-33(23-11-24(34-3)14-25(12-23)35-4)22-9-10-26-27(13-22)31-28(16-29-26)21-15-30-32(2)17-21;1-29-15-17(13-27-29)25-14-26-23-7-6-18(11-24(23)28-25)30(16-22-5-4-8-33-22)19-9-20(31-2)12-21(10-19)32-3/h4-9,12-18H,10-11H2,1-3H3,(H,32,39);5-16,18H,17H2,1-4H3;5-17H,18H2,1-4H3;4-15H,16H2,1-3H3
• InChIKey: RYLFGHJEWVYWRY-UHFFFAOYSA-N
• XLogP: 20.67
• TPSA: 318.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 29
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1950.27
LogP ≤ 5	20.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)quinoxalin-6-amine;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-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)quinoxalin-6-amine;3-[2-(1,3-dioxoisoindol-2-yl)ethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide (CID 160764017) is N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)quinoxalin-6-amine;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-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)quinoxalin-6-amine;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-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)quinoxalin-6-amine;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.COc1cc(OC)cc(N(Cc2ccc(C)cc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ccccc2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2cccs2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

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

The InChIKey is RYLFGHJEWVYWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N7O4.2C28H27N5O2.C25H23N5O2S/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;1-19-5-7-20(8-6-19)17-33(23-11-24(34-3)14-25(12-23)35-4)22-9-10-26-27(13-22)31-28(16-29-26)21-15-30-32(2)18-21;1-19-7-5-6-8-20(19)18-33(23-11-24(34-3)14-25(12-23)35-4)22-9-10-26-27(13-22)31-28(16-29-26)21-15-30-32(2)17-21;1-29-15-17(13-27-29)25-14-26-23-7-6-18(11-24(23)28-25)30(16-22-5-4-8-33-22)19-9-20(31-2)12-21(10-19)32-3/h4-9,12-18H,10-11H2,1-3H3,(H,32,39);5-16,18H,17H2,1-4H3;5-17H,18H2,1-4H3;4-15H,16H2,1-3H3.

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

N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)quinoxalin-6-amine;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 1950.27 g/mol, XLogP of 20.67, 29 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)quinoxalin-6-amine;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 160764017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).