N-(cyclopropylmethyl)-N-[3-methoxy-5-(2-methoxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[2-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino]ethanol

C122H128N22O15 — CID 157085883

About N-(cyclopropylmethyl)-N-[3-methoxy-5-(2-methoxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[2-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino]ethanol

N-(cyclopropylmethyl)-N-[3-methoxy-5-(2-methoxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[2-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino]ethanol (PubChem CID 157085883) has the molecular formula C122H128N22O15 and a molecular weight of 2142.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[3-methoxy-5-(2-methoxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[2-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino]ethanol.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-N-[3-methoxy-5-(2-methoxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[2-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino]ethanol
• PubChem CID: 157085883
• Molecular Formula: C122H128N22O15
• Molecular Weight: 2142.50 g/mol
• Exact Mass: 2140.99
• IUPAC Name: N-(cyclopropylmethyl)-N-[3-methoxy-5-(2-methoxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[2-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino]ethanol
• SMILES: CCCn1cc(-c2cnc3ccc(N(CCN4C(=O)c5ccccc5C4=O)c4cc(OC)cc(OC)c4)cc3n2)cn1.COCCc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC(C)(C)C)cc(N(CCO)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(CC5CCOCC5)c4)nc3c2)c1
• InChI: InChI=1S/C35H34N6O5.C32H30N6O4.C29H35N5O4.C26H29N5O2/c1-44-27-15-26(16-28(18-27)45-2)40(11-12-41-34(42)29-5-3-4-6-30(29)35(41)43)25-7-8-31-32(17-25)38-33(20-36-31)24-19-37-39(22-24)21-23-9-13-46-14-10-23;1-4-11-36-20-21(18-34-36)30-19-33-28-10-9-22(16-29(28)35-30)37(23-14-24(41-2)17-25(15-23)42-3)12-13-38-31(39)26-7-5-6-8-27(26)32(38)40;1-29(2,3)38-24-14-22(13-23(16-24)36-4)33(10-11-35)21-8-9-25-26(15-21)32-27(18-30-25)20-17-31-34(19-20)28-7-5-6-12-37-28;1-30-17-20(14-28-30)26-15-27-24-7-6-21(13-25(24)29-26)31(16-18-4-5-18)22-10-19(8-9-32-2)11-23(12-22)33-3/h3-8,15-20,22-23H,9-14,21H2,1-2H3;5-10,14-20H,4,11-13H2,1-3H3;8-9,13-19,28,35H,5-7,10-12H2,1-4H3;6-7,10-15,17-18H,4-5,8-9,16H2,1-3H3
• InChIKey: AEBRKTKYSWQOJF-UHFFFAOYSA-N
• XLogP: 21.01
• TPSA: 374.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 37
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2142.50
LogP ≤ 5	21.01
H-Bond Donors ≤ 5	1
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-(cyclopropylmethyl)-N-[3-methoxy-5-(2-methoxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[2-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino]ethanol?

The IUPAC name of N-(cyclopropylmethyl)-N-[3-methoxy-5-(2-methoxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[2-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino]ethanol (CID 157085883) is N-(cyclopropylmethyl)-N-[3-methoxy-5-(2-methoxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[2-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino]ethanol.

What is the SMILES notation for N-(cyclopropylmethyl)-N-[3-methoxy-5-(2-methoxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[2-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino]ethanol?

The canonical SMILES for N-(cyclopropylmethyl)-N-[3-methoxy-5-(2-methoxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[2-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino]ethanol is CCCn1cc(-c2cnc3ccc(N(CCN4C(=O)c5ccccc5C4=O)c4cc(OC)cc(OC)c4)cc3n2)cn1.COCCc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC(C)(C)C)cc(N(CCO)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(CC5CCOCC5)c4)nc3c2)c1.

What is the InChIKey of N-(cyclopropylmethyl)-N-[3-methoxy-5-(2-methoxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[2-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino]ethanol?

The InChIKey is AEBRKTKYSWQOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N6O5.C32H30N6O4.C29H35N5O4.C26H29N5O2/c1-44-27-15-26(16-28(18-27)45-2)40(11-12-41-34(42)29-5-3-4-6-30(29)35(41)43)25-7-8-31-32(17-25)38-33(20-36-31)24-19-37-39(22-24)21-23-9-13-46-14-10-23;1-4-11-36-20-21(18-34-36)30-19-33-28-10-9-22(16-29(28)35-30)37(23-14-24(41-2)17-25(15-23)42-3)12-13-38-31(39)26-7-5-6-8-27(26)32(38)40;1-29(2,3)38-24-14-22(13-23(16-24)36-4)33(10-11-35)21-8-9-25-26(15-21)32-27(18-30-25)20-17-31-34(19-20)28-7-5-6-12-37-28;1-30-17-20(14-28-30)26-15-27-24-7-6-21(13-25(24)29-26)31(16-18-4-5-18)22-10-19(8-9-32-2)11-23(12-22)33-3/h3-8,15-20,22-23H,9-14,21H2,1-2H3;5-10,14-20H,4,11-13H2,1-3H3;8-9,13-19,28,35H,5-7,10-12H2,1-4H3;6-7,10-15,17-18H,4-5,8-9,16H2,1-3H3.

What are the key properties of N-(cyclopropylmethyl)-N-[3-methoxy-5-(2-methoxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[2-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino]ethanol?

N-(cyclopropylmethyl)-N-[3-methoxy-5-(2-methoxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[2-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino]ethanol has a molecular weight of 2142.50 g/mol, XLogP of 21.01, 37 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-N-[3-methoxy-5-(2-methoxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[2-(3,5-dimethoxy-N-[3-(1-propylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;2-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino]ethanol is sourced from PubChem (CID 157085883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).