N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]acetamide;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine

C98H108ClF3N24O7 — CID 160688754

About N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]acetamide;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine

N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]acetamide;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine (PubChem CID 160688754) has the molecular formula C98H108ClF3N24O7 and a molecular weight of 1826.55 g/mol. Its IUPAC name is N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]acetamide;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]acetamide;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine
• PubChem CID: 160688754
• Molecular Formula: C98H108ClF3N24O7
• Molecular Weight: 1826.55 g/mol
• Exact Mass: 1824.85
• IUPAC Name: N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]acetamide;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine
• SMILES: COc1cc(F)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNCC(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNC(C)=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1ccc(Cl)c(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1
• InChI: InChI=1S/C26H30F2N6O2.C25H27FN6O.C24H26N6O3.C23H25ClN6O/c1-26(27,28)17-29-8-5-9-34(20-10-21(35-3)13-22(11-20)36-4)19-6-7-23-24(12-19)32-25(15-30-23)18-14-31-33(2)16-18;1-33-22-12-19(26)11-21(13-22)32(10-4-9-31-7-2-3-8-31)20-5-6-23-24(14-20)30-25(17-27-23)18-15-28-29-16-18;1-16(31)25-7-8-30(19-9-20(32-3)12-21(10-19)33-4)18-5-6-22-23(11-18)28-24(14-26-22)17-13-27-29(2)15-17;1-15(2)25-8-9-30(23-11-18(31-3)5-6-19(23)24)17-4-7-20-21(10-17)29-22(14-26-20)16-12-27-28-13-16/h6-7,10-16,29H,5,8-9,17H2,1-4H3;5-6,11-17H,2-4,7-10H2,1H3,(H,28,29);5-6,9-15H,7-8H2,1-4H3,(H,25,31);4-7,10-15,25H,8-9H2,1-3H3,(H,27,28)
• InChIKey: RPDAKMSBXHULAJ-UHFFFAOYSA-N
• XLogP: 17.75
• TPSA: 320.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 35
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1826.55
LogP ≤ 5	17.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]acetamide;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine?

The IUPAC name of N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]acetamide;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine (CID 160688754) is N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]acetamide;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine.

What is the SMILES notation for N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]acetamide;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine?

The canonical SMILES for N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]acetamide;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine is COc1cc(F)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNCC(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNC(C)=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1ccc(Cl)c(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.

What is the InChIKey of N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]acetamide;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine?

The InChIKey is RPDAKMSBXHULAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N6O2.C25H27FN6O.C24H26N6O3.C23H25ClN6O/c1-26(27,28)17-29-8-5-9-34(20-10-21(35-3)13-22(11-20)36-4)19-6-7-23-24(12-19)32-25(15-30-23)18-14-31-33(2)16-18;1-33-22-12-19(26)11-21(13-22)32(10-4-9-31-7-2-3-8-31)20-5-6-23-24(14-20)30-25(17-27-23)18-15-28-29-16-18;1-16(31)25-7-8-30(19-9-20(32-3)12-21(10-19)33-4)18-5-6-22-23(11-18)28-24(14-26-22)17-13-27-29(2)15-17;1-15(2)25-8-9-30(23-11-18(31-3)5-6-19(23)24)17-4-7-20-21(10-17)29-22(14-26-20)16-12-27-28-13-16/h6-7,10-16,29H,5,8-9,17H2,1-4H3;5-6,11-17H,2-4,7-10H2,1H3,(H,28,29);5-6,9-15H,7-8H2,1-4H3,(H,25,31);4-7,10-15,25H,8-9H2,1-3H3,(H,27,28).

What are the key properties of N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]acetamide;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine?

N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]acetamide;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine has a molecular weight of 1826.55 g/mol, XLogP of 17.75, 35 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2-chloro-5-methoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-(2,2-difluoropropyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]acetamide;N-(3-fluoro-5-methoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine is sourced from PubChem (CID 160688754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).