N-[3-(2-chloro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(3-ethylpentyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine

C109H123ClF4N24O12 — CID 157105714

About N-[3-(2-chloro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(3-ethylpentyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine

N-[3-(2-chloro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(3-ethylpentyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine (PubChem CID 157105714) has the molecular formula C109H123ClF4N24O12 and a molecular weight of 2072.78 g/mol. Its IUPAC name is N-[3-(2-chloro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(3-ethylpentyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: N-[3-(2-chloro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(3-ethylpentyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine
• PubChem CID: 157105714
• Molecular Formula: C109H123ClF4N24O12
• Molecular Weight: 2072.78 g/mol
• Exact Mass: 2070.94
• IUPAC Name: N-[3-(2-chloro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(3-ethylpentyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine
• SMILES: CCC(CC)CCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.COc1cc(OC)c(Cl)c(N(CCCNC(=O)C(C)(O)C(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNC(=O)C(C)(O)C(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCn2cccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C28H31ClF2N6O4.C28H32F2N6O4.C27H33N5O2.C26H27N7O2/c1-27(39,28(2,30)31)26(38)32-9-6-10-37(23-12-19(40-4)13-24(41-5)25(23)29)18-7-8-20-21(11-18)35-22(15-33-20)17-14-34-36(3)16-17;1-27(38,28(2,29)30)26(37)31-9-6-10-36(20-11-21(39-4)14-22(12-20)40-5)19-7-8-23-24(13-19)34-25(16-32-23)18-15-33-35(3)17-18;1-6-19(7-2)10-11-32(22-12-23(33-4)15-24(13-22)34-5)21-8-9-25-26(14-21)30-27(17-28-25)20-16-29-31(3)18-20;1-31-18-19(16-29-31)26-17-27-24-7-6-20(14-25(24)30-26)33(11-5-10-32-9-4-8-28-32)21-12-22(34-2)15-23(13-21)35-3/h7-8,11-16,39H,6,9-10H2,1-5H3,(H,32,38);7-8,11-17,38H,6,9-10H2,1-5H3,(H,31,37);8-9,12-19H,6-7,10-11H2,1-5H3;4,6-9,12-18H,5,10-11H2,1-3H3
• InChIKey: AGGUSPJXUVLFPJ-UHFFFAOYSA-N
• XLogP: 19.33
• TPSA: 377.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 41
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2072.78
LogP ≤ 5	19.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(3-ethylpentyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine?

The IUPAC name of N-[3-(2-chloro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(3-ethylpentyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine (CID 157105714) is N-[3-(2-chloro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(3-ethylpentyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine.

What is the SMILES notation for N-[3-(2-chloro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(3-ethylpentyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine?

The canonical SMILES for N-[3-(2-chloro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(3-ethylpentyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine is CCC(CC)CCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.COc1cc(OC)c(Cl)c(N(CCCNC(=O)C(C)(O)C(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNC(=O)C(C)(O)C(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCn2cccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-[3-(2-chloro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(3-ethylpentyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine?

The InChIKey is AGGUSPJXUVLFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClF2N6O4.C28H32F2N6O4.C27H33N5O2.C26H27N7O2/c1-27(39,28(2,30)31)26(38)32-9-6-10-37(23-12-19(40-4)13-24(41-5)25(23)29)18-7-8-20-21(11-18)35-22(15-33-20)17-14-34-36(3)16-17;1-27(38,28(2,29)30)26(37)31-9-6-10-36(20-11-21(39-4)14-22(12-20)40-5)19-7-8-23-24(13-19)34-25(16-32-23)18-15-33-35(3)17-18;1-6-19(7-2)10-11-32(22-12-23(33-4)15-24(13-22)34-5)21-8-9-25-26(14-21)30-27(17-28-25)20-16-29-31(3)18-20;1-31-18-19(16-29-31)26-17-27-24-7-6-20(14-25(24)30-26)33(11-5-10-32-9-4-8-28-32)21-12-22(34-2)15-23(13-21)35-3/h7-8,11-16,39H,6,9-10H2,1-5H3,(H,32,38);7-8,11-17,38H,6,9-10H2,1-5H3,(H,31,37);8-9,12-19H,6-7,10-11H2,1-5H3;4,6-9,12-18H,5,10-11H2,1-3H3.

What are the key properties of N-[3-(2-chloro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(3-ethylpentyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine?

N-[3-(2-chloro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(3-ethylpentyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine has a molecular weight of 2072.78 g/mol, XLogP of 19.33, 41 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-chloro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(3-ethylpentyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine is sourced from PubChem (CID 157105714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).