N-(2-aminoethyl)-2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)acetamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-[2-(propan-2-ylamino)ethyl]amino]benzamide

C112H126N26O12 — CID 157343626

About N-(2-aminoethyl)-2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)acetamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-[2-(propan-2-ylamino)ethyl]amino]benzamide

N-(2-aminoethyl)-2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)acetamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-[2-(propan-2-ylamino)ethyl]amino]benzamide (PubChem CID 157343626) has the molecular formula C112H126N26O12 and a molecular weight of 2028.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)acetamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-[2-(propan-2-ylamino)ethyl]amino]benzamide.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)acetamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-[2-(propan-2-ylamino)ethyl]amino]benzamide
• PubChem CID: 157343626
• Molecular Formula: C112H126N26O12
• Molecular Weight: 2028.41 g/mol
• Exact Mass: 2027.00
• IUPAC Name: N-(2-aminoethyl)-2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)acetamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-[2-(propan-2-ylamino)ethyl]amino]benzamide
• SMILES: CNC(=O)c1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC(=O)NCCN)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2C[C@@H](C)O[C@@H](C)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C33H32N6O4.C29H36N6O3.C26H31N7O2.C24H27N7O3/c1-21(2)39-20-22(18-35-39)31-19-34-29-11-10-23(16-30(29)36-31)37(24-14-25(42-3)17-26(15-24)43-4)12-7-13-38-32(40)27-8-5-6-9-28(27)33(38)41;1-20-17-34(18-21(2)38-20)9-6-10-35(24-11-25(36-4)14-26(12-24)37-5)23-7-8-27-28(13-23)32-29(16-30-27)22-15-31-33(3)19-22;1-17(2)28-8-9-33(21-10-18(26(34)27-3)11-22(12-21)35-5)20-6-7-23-24(13-20)31-25(15-29-23)19-14-30-32(4)16-19;1-30-14-16(12-28-30)23-13-27-21-5-4-17(10-22(21)29-23)31(15-24(32)26-7-6-25)18-8-19(33-2)11-20(9-18)34-3/h5-6,8-11,14-21H,7,12-13H2,1-4H3;7-8,11-16,19-21H,6,9-10,17-18H2,1-5H3;6-7,10-17,28H,8-9H2,1-5H3,(H,27,34);4-5,8-14H,6-7,15,25H2,1-3H3,(H,26,32)/t;20-,21+
• InChIKey: BGRQSDABZLXRMG-XYKBZOOISA-N
• XLogP: 16.40
• TPSA: 398.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 37
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2028.41
LogP ≤ 5	16.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)acetamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-[2-(propan-2-ylamino)ethyl]amino]benzamide?

The IUPAC name of N-(2-aminoethyl)-2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)acetamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-[2-(propan-2-ylamino)ethyl]amino]benzamide (CID 157343626) is N-(2-aminoethyl)-2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)acetamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-[2-(propan-2-ylamino)ethyl]amino]benzamide.

What is the SMILES notation for N-(2-aminoethyl)-2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)acetamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-[2-(propan-2-ylamino)ethyl]amino]benzamide?

The canonical SMILES for N-(2-aminoethyl)-2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)acetamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-[2-(propan-2-ylamino)ethyl]amino]benzamide is CNC(=O)c1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC(=O)NCCN)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2C[C@@H](C)O[C@@H](C)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-(2-aminoethyl)-2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)acetamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-[2-(propan-2-ylamino)ethyl]amino]benzamide?

The InChIKey is BGRQSDABZLXRMG-XYKBZOOISA-N. The full InChI is InChI=1S/C33H32N6O4.C29H36N6O3.C26H31N7O2.C24H27N7O3/c1-21(2)39-20-22(18-35-39)31-19-34-29-11-10-23(16-30(29)36-31)37(24-14-25(42-3)17-26(15-24)43-4)12-7-13-38-32(40)27-8-5-6-9-28(27)33(38)41;1-20-17-34(18-21(2)38-20)9-6-10-35(24-11-25(36-4)14-26(12-24)37-5)23-7-8-27-28(13-23)32-29(16-30-27)22-15-31-33(3)19-22;1-17(2)28-8-9-33(21-10-18(26(34)27-3)11-22(12-21)35-5)20-6-7-23-24(13-20)31-25(15-29-23)19-14-30-32(4)16-19;1-30-14-16(12-28-30)23-13-27-21-5-4-17(10-22(21)29-23)31(15-24(32)26-7-6-25)18-8-19(33-2)11-20(9-18)34-3/h5-6,8-11,14-21H,7,12-13H2,1-4H3;7-8,11-16,19-21H,6,9-10,17-18H2,1-5H3;6-7,10-17,28H,8-9H2,1-5H3,(H,27,34);4-5,8-14H,6-7,15,25H2,1-3H3,(H,26,32)/t;20-,21+;;.

What are the key properties of N-(2-aminoethyl)-2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)acetamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-[2-(propan-2-ylamino)ethyl]amino]benzamide?

N-(2-aminoethyl)-2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)acetamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-[2-(propan-2-ylamino)ethyl]amino]benzamide has a molecular weight of 2028.41 g/mol, XLogP of 16.40, 37 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)acetamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;3-methoxy-N-methyl-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-[2-(propan-2-ylamino)ethyl]amino]benzamide is sourced from PubChem (CID 157343626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).