N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;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

C117H120ClN23O12 — CID 158493035

About N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;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

N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;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 (PubChem CID 158493035) has the molecular formula C117H120ClN23O12 and a molecular weight of 2075.85 g/mol. Its IUPAC name is N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;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.

Molecular Properties

• Compound Name: N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;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
• PubChem CID: 158493035
• Molecular Formula: C117H120ClN23O12
• Molecular Weight: 2075.85 g/mol
• Exact Mass: 2073.92
• IUPAC Name: N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;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
• 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)cc(N(CCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(CC5CCOCC5)c4)nc3c2)c1.COc1ccc(Cl)c(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C35H34N6O5.C32H30N6O4.C26H29N5O2.C24H27ClN6O/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;1-30-17-20(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;1-16(2)26-9-10-31(24-12-19(32-4)6-7-20(24)25)18-5-8-21-22(11-18)29-23(14-27-21)17-13-28-30(3)15-17/h3-8,15-20,22-23H,9-14,21H2,1-2H3;5-10,14-20H,4,11-13H2,1-3H3;6-7,10-15,17-18H,4-5,8-9,16H2,1-3H3;5-8,11-16,26H,9-10H2,1-4H3
• InChIKey: HIXXPUQAKPXENA-UHFFFAOYSA-N
• XLogP: 20.33
• TPSA: 347.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 37
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2075.85
LogP ≤ 5	20.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;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?

The IUPAC name of N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;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 (CID 158493035) is N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;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.

What is the SMILES notation for N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;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?

The canonical SMILES for N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;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 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)cc(N(CCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(CC5CCOCC5)c4)nc3c2)c1.COc1ccc(Cl)c(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;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?

The InChIKey is HIXXPUQAKPXENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N6O5.C32H30N6O4.C26H29N5O2.C24H27ClN6O/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;1-30-17-20(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;1-16(2)26-9-10-31(24-12-19(32-4)6-7-20(24)25)18-5-8-21-22(11-18)29-23(14-27-21)17-13-28-30(3)15-17/h3-8,15-20,22-23H,9-14,21H2,1-2H3;5-10,14-20H,4,11-13H2,1-3H3;6-7,10-15,17-18H,4-5,8-9,16H2,1-3H3;5-8,11-16,26H,9-10H2,1-4H3.

What are the key properties of N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;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?

N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;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 has a molecular weight of 2075.85 g/mol, XLogP of 20.33, 37 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;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 is sourced from PubChem (CID 158493035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).