3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine

C135H147F2N31O14 — CID 158903443

About 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine

3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine (PubChem CID 158903443) has the molecular formula C135H147F2N31O14 and a molecular weight of 2465.86 g/mol. Its IUPAC name is 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine
• PubChem CID: 158903443
• Molecular Formula: C135H147F2N31O14
• Molecular Weight: 2465.86 g/mol
• Exact Mass: 2464.17
• IUPAC Name: 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine
• SMILES: CNC(=O)c1cc(OC)cc(N(CCN)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCC(F)(F)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1ccc(OC)c(N(CCN)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1ccc(OC)c(N(CCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1ccc(OC)c(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C34H32N6O5.C27H30F2N6O2.C26H30N6O3.C25H30N6O2.C23H25N7O2/c1-43-24-11-13-31(44-2)30(18-24)38(14-15-39-33(41)25-7-3-4-8-26(25)34(39)42)23-10-12-27-28(17-23)37-29(20-35-27)22-19-36-40(21-22)32-9-5-6-16-45-32;1-33-18-19(16-31-33)26-17-30-24-5-4-20(14-25(24)32-26)35(11-10-34-8-6-27(28,29)7-9-34)21-12-22(36-2)15-23(13-21)37-3;1-33-20-7-9-25(34-2)24(14-20)31(11-10-27)19-6-8-21-22(13-19)30-23(16-28-21)18-15-29-32(17-18)26-5-3-4-12-35-26;1-17(2)26-10-11-31(24-13-20(32-4)7-9-25(24)33-5)19-6-8-21-22(12-19)29-23(15-27-21)18-14-28-30(3)16-18;1-25-23(31)15-8-18(10-19(9-15)32-3)30(7-6-24)17-4-5-20-21(11-17)28-22(13-26-20)16-12-27-29(2)14-16/h3-4,7-8,10-13,17-21,32H,5-6,9,14-16H2,1-2H3;4-5,12-18H,6-11H2,1-3H3;6-9,13-17,26H,3-5,10-12,27H2,1-2H3;6-9,12-17,26H,10-11H2,1-5H3;4-5,8-14H,6-7,24H2,1-3H3,(H,25,31)
• InChIKey: JFSUFWOKOSWGQL-UHFFFAOYSA-N
• XLogP: 21.55
• TPSA: 469.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 43
• Rotatable Bonds: 41
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2465.86
LogP ≤ 5	21.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine?

The IUPAC name of 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine (CID 158903443) is 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine.

What is the SMILES notation for 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine?

The canonical SMILES for 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine is CNC(=O)c1cc(OC)cc(N(CCN)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCC(F)(F)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1ccc(OC)c(N(CCN)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1ccc(OC)c(N(CCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1ccc(OC)c(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine?

The InChIKey is JFSUFWOKOSWGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N6O5.C27H30F2N6O2.C26H30N6O3.C25H30N6O2.C23H25N7O2/c1-43-24-11-13-31(44-2)30(18-24)38(14-15-39-33(41)25-7-3-4-8-26(25)34(39)42)23-10-12-27-28(17-23)37-29(20-35-27)22-19-36-40(21-22)32-9-5-6-16-45-32;1-33-18-19(16-31-33)26-17-30-24-5-4-20(14-25(24)32-26)35(11-10-34-8-6-27(28,29)7-9-34)21-12-22(36-2)15-23(13-21)37-3;1-33-20-7-9-25(34-2)24(14-20)31(11-10-27)19-6-8-21-22(13-19)30-23(16-28-21)18-15-29-32(17-18)26-5-3-4-12-35-26;1-17(2)26-10-11-31(24-13-20(32-4)7-9-25(24)33-5)19-6-8-21-22(12-19)29-23(15-27-21)18-14-28-30(3)16-18;1-25-23(31)15-8-18(10-19(9-15)32-3)30(7-6-24)17-4-5-20-21(11-17)28-22(13-26-20)16-12-27-29(2)14-16/h3-4,7-8,10-13,17-21,32H,5-6,9,14-16H2,1-2H3;4-5,12-18H,6-11H2,1-3H3;6-9,13-17,26H,3-5,10-12,27H2,1-2H3;6-9,12-17,26H,10-11H2,1-5H3;4-5,8-14H,6-7,24H2,1-3H3,(H,25,31).

What are the key properties of 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine?

3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine has a molecular weight of 2465.86 g/mol, XLogP of 21.55, 41 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine is sourced from PubChem (CID 158903443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).