N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3-ethenyl-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3-ethoxy-5-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine

C106H108ClFN22O9 — CID 161035047

About N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3-ethenyl-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3-ethoxy-5-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine

N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3-ethenyl-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3-ethoxy-5-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine (PubChem CID 161035047) has the molecular formula C106H108ClFN22O9 and a molecular weight of 1888.63 g/mol. Its IUPAC name is N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3-ethenyl-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3-ethoxy-5-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine.

Molecular Properties

• Compound Name: N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3-ethenyl-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3-ethoxy-5-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine
• PubChem CID: 161035047
• Molecular Formula: C106H108ClFN22O9
• Molecular Weight: 1888.63 g/mol
• Exact Mass: 1886.83
• IUPAC Name: N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3-ethenyl-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3-ethoxy-5-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine
• SMILES: C=Cc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.CCCN(c1cc(F)cc(OCC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.COc1cc(OC)c(Cl)c(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC(O)CN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C31H28N6O5.C27H31ClN6O2.C25H25N5O.C23H24FN5O/c1-35-16-19(14-33-35)29-15-32-27-9-8-20(12-28(27)34-29)36(21-10-23(41-2)13-24(11-21)42-3)17-22(38)18-37-30(39)25-6-4-5-7-26(25)31(37)40;1-32-18-19(16-30-32)24-17-29-22-8-7-20(13-23(22)31-24)34(12-6-11-33-9-4-5-10-33)25-14-21(35-2)15-26(36-3)27(25)28;1-4-17-9-21(11-22(10-17)31-3)30(15-18-5-6-18)20-7-8-23-24(12-20)28-25(14-26-23)19-13-27-29(2)16-19;1-4-8-29(19-9-17(24)10-20(11-19)30-5-2)18-6-7-21-22(12-18)27-23(14-25-21)16-13-26-28(3)15-16/h4-16,22,38H,17-18H2,1-3H3;7-8,13-18H,4-6,9-12H2,1-3H3;4,7-14,16,18H,1,5-6,15H2,2-3H3;6-7,9-15H,4-5,8H2,1-3H3
• InChIKey: UADGWDWATSUOMJ-UHFFFAOYSA-N
• XLogP: 19.51
• TPSA: 303.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1888.63
LogP ≤ 5	19.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3-ethenyl-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3-ethoxy-5-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine?

The IUPAC name of N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3-ethenyl-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3-ethoxy-5-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine (CID 161035047) is N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3-ethenyl-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3-ethoxy-5-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine.

What is the SMILES notation for N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3-ethenyl-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3-ethoxy-5-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine?

The canonical SMILES for N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3-ethenyl-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3-ethoxy-5-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine is C=Cc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.CCCN(c1cc(F)cc(OCC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.COc1cc(OC)c(Cl)c(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC(O)CN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3-ethenyl-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3-ethoxy-5-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine?

The InChIKey is UADGWDWATSUOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O5.C27H31ClN6O2.C25H25N5O.C23H24FN5O/c1-35-16-19(14-33-35)29-15-32-27-9-8-20(12-28(27)34-29)36(21-10-23(41-2)13-24(11-21)42-3)17-22(38)18-37-30(39)25-6-4-5-7-26(25)31(37)40;1-32-18-19(16-30-32)24-17-29-22-8-7-20(13-23(22)31-24)34(12-6-11-33-9-4-5-10-33)25-14-21(35-2)15-26(36-3)27(25)28;1-4-17-9-21(11-22(10-17)31-3)30(15-18-5-6-18)20-7-8-23-24(12-20)28-25(14-26-23)19-13-27-29(2)16-19;1-4-8-29(19-9-17(24)10-20(11-19)30-5-2)18-6-7-21-22(12-18)27-23(14-25-21)16-13-26-28(3)15-16/h4-16,22,38H,17-18H2,1-3H3;7-8,13-18H,4-6,9-12H2,1-3H3;4,7-14,16,18H,1,5-6,15H2,2-3H3;6-7,9-15H,4-5,8H2,1-3H3.

What are the key properties of N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3-ethenyl-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3-ethoxy-5-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine?

N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3-ethenyl-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3-ethoxy-5-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine has a molecular weight of 1888.63 g/mol, XLogP of 19.51, 32 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3-ethenyl-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3-ethoxy-5-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine is sourced from PubChem (CID 161035047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).