N'-(2-chloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine

C103H113ClF3N25O11 — CID 159728787

About N'-(2-chloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine

N'-(2-chloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine (PubChem CID 159728787) has the molecular formula C103H113ClF3N25O11 and a molecular weight of 1969.65 g/mol. Its IUPAC name is N'-(2-chloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-(2-chloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine
• PubChem CID: 159728787
• Molecular Formula: C103H113ClF3N25O11
• Molecular Weight: 1969.65 g/mol
• Exact Mass: 1967.87
• IUPAC Name: N'-(2-chloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine
• SMILES: COc1cc(OC)c(Cl)c(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCn2cccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN)c2ccc3ncc(-c4cnn(CC5CCOCC5)c4)nc3c2)c1.COc1cc(OC)cc(N(CNC(=O)C(C)(O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C27H32N6O3.C26H27N7O2.C25H29ClN6O2.C25H25F3N6O4/c1-34-23-11-22(12-24(14-23)35-2)33(8-7-28)21-3-4-25-26(13-21)31-27(16-29-25)20-15-30-32(18-20)17-19-5-9-36-10-6-19;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;1-16(2)27-8-9-32(23-11-19(33-4)12-24(34-5)25(23)26)18-6-7-20-21(10-18)30-22(14-28-20)17-13-29-31(3)15-17;1-24(36,25(26,27)28)23(35)30-14-34(17-7-18(37-3)10-19(8-17)38-4)16-5-6-20-21(9-16)32-22(12-29-20)15-11-31-33(2)13-15/h3-4,11-16,18-19H,5-10,17,28H2,1-2H3;4,6-9,12-18H,5,10-11H2,1-3H3;6-7,10-16,27H,8-9H2,1-5H3;5-13,36H,14H2,1-4H3,(H,30,35)
• InChIKey: NAYYAXNDKUEXLI-UHFFFAOYSA-N
• XLogP: 16.92
• TPSA: 375.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 35
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1969.65
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine?

The IUPAC name of N'-(2-chloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine (CID 159728787) is N'-(2-chloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine.

What is the SMILES notation for N'-(2-chloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine?

The canonical SMILES for N'-(2-chloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine is COc1cc(OC)c(Cl)c(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCn2cccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN)c2ccc3ncc(-c4cnn(CC5CCOCC5)c4)nc3c2)c1.COc1cc(OC)cc(N(CNC(=O)C(C)(O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N'-(2-chloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine?

The InChIKey is NAYYAXNDKUEXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3.C26H27N7O2.C25H29ClN6O2.C25H25F3N6O4/c1-34-23-11-22(12-24(14-23)35-2)33(8-7-28)21-3-4-25-26(13-21)31-27(16-29-25)20-15-30-32(18-20)17-19-5-9-36-10-6-19;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;1-16(2)27-8-9-32(23-11-19(33-4)12-24(34-5)25(23)26)18-6-7-20-21(10-18)30-22(14-28-20)17-13-29-31(3)15-17;1-24(36,25(26,27)28)23(35)30-14-34(17-7-18(37-3)10-19(8-17)38-4)16-5-6-20-21(9-16)32-22(12-29-20)15-11-31-33(2)13-15/h3-4,11-16,18-19H,5-10,17,28H2,1-2H3;4,6-9,12-18H,5,10-11H2,1-3H3;6-7,10-16,27H,8-9H2,1-5H3;5-13,36H,14H2,1-4H3,(H,30,35).

What are the key properties of N'-(2-chloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine?

N'-(2-chloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine has a molecular weight of 1969.65 g/mol, XLogP of 16.92, 35 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2-chloro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine is sourced from PubChem (CID 159728787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).