3-[1-(3-chloropropyl)pyrazol-4-yl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;methane

C115H126ClN23O10 — CID 159048225

About 3-[1-(3-chloropropyl)pyrazol-4-yl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;methane

3-[1-(3-chloropropyl)pyrazol-4-yl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;methane (PubChem CID 159048225) has the molecular formula C115H126ClN23O10 and a molecular weight of 2025.88 g/mol. Its IUPAC name is 3-[1-(3-chloropropyl)pyrazol-4-yl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;methane.

Molecular Properties

• Compound Name: 3-[1-(3-chloropropyl)pyrazol-4-yl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;methane
• PubChem CID: 159048225
• Molecular Formula: C115H126ClN23O10
• Molecular Weight: 2025.88 g/mol
• Exact Mass: 2023.97
• IUPAC Name: 3-[1-(3-chloropropyl)pyrazol-4-yl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;methane
• SMILES: C.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C5CCNCC5)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCC5CCNCC5)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCCCl)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C30H26N6O4.C30H36N6O2.C28H32N6O2.C26H28ClN5O2.CH4/c1-34-18-19(16-32-34)28-17-31-26-9-8-20(14-27(26)33-28)35(21-12-22(39-2)15-23(13-21)40-3)10-11-36-29(37)24-6-4-5-7-25(24)30(36)38;1-37-26-13-25(14-27(16-26)38-2)36(19-22-3-4-22)24-5-6-28-29(15-24)34-30(18-32-28)23-17-33-35(20-23)12-9-21-7-10-31-11-8-21;1-35-24-11-23(12-25(14-24)36-2)33(17-19-3-4-19)22-5-6-26-27(13-22)32-28(16-30-26)20-15-31-34(18-20)21-7-9-29-10-8-21;1-33-22-10-21(11-23(13-22)34-2)32(16-18-4-5-18)20-6-7-24-25(12-20)30-26(15-28-24)19-14-29-31(17-19)9-3-8-27;/h4-9,12-18H,10-11H2,1-3H3;5-6,13-18,20-22,31H,3-4,7-12,19H2,1-2H3;5-6,11-16,18-19,21,29H,3-4,7-10,17H2,1-2H3;6-7,10-15,17-18H,3-5,8-9,16H2,1-2H3;1H4
• InChIKey: JWXRPOBGKPXCSO-UHFFFAOYSA-N
• XLogP: 21.24
• TPSA: 322.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 36
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2025.88
LogP ≤ 5	21.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloropropyl)pyrazol-4-yl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;methane?

The IUPAC name of 3-[1-(3-chloropropyl)pyrazol-4-yl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;methane (CID 159048225) is 3-[1-(3-chloropropyl)pyrazol-4-yl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;methane.

What is the SMILES notation for 3-[1-(3-chloropropyl)pyrazol-4-yl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;methane?

The canonical SMILES for 3-[1-(3-chloropropyl)pyrazol-4-yl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;methane is C.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C5CCNCC5)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCC5CCNCC5)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCCCl)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of 3-[1-(3-chloropropyl)pyrazol-4-yl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;methane?

The InChIKey is JWXRPOBGKPXCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O4.C30H36N6O2.C28H32N6O2.C26H28ClN5O2.CH4/c1-34-18-19(16-32-34)28-17-31-26-9-8-20(14-27(26)33-28)35(21-12-22(39-2)15-23(13-21)40-3)10-11-36-29(37)24-6-4-5-7-25(24)30(36)38;1-37-26-13-25(14-27(16-26)38-2)36(19-22-3-4-22)24-5-6-28-29(15-24)34-30(18-32-28)23-17-33-35(20-23)12-9-21-7-10-31-11-8-21;1-35-24-11-23(12-25(14-24)36-2)33(17-19-3-4-19)22-5-6-26-27(13-22)32-28(16-30-26)20-15-31-34(18-20)21-7-9-29-10-8-21;1-33-22-10-21(11-23(13-22)34-2)32(16-18-4-5-18)20-6-7-24-25(12-20)30-26(15-28-24)19-14-29-31(17-19)9-3-8-27;/h4-9,12-18H,10-11H2,1-3H3;5-6,13-18,20-22,31H,3-4,7-12,19H2,1-2H3;5-6,11-16,18-19,21,29H,3-4,7-10,17H2,1-2H3;6-7,10-15,17-18H,3-5,8-9,16H2,1-2H3;1H4.

What are the key properties of 3-[1-(3-chloropropyl)pyrazol-4-yl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;methane?

3-[1-(3-chloropropyl)pyrazol-4-yl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;methane has a molecular weight of 2025.88 g/mol, XLogP of 21.24, 36 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(3-chloropropyl)pyrazol-4-yl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;methane is sourced from PubChem (CID 159048225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).