2-[3-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]ethanol;N-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;ethyl (2R)-2-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]cyclopropane-1-carboxylate

C110H109N21O14 — CID 162264128

About 2-[3-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]ethanol;N-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;ethyl (2R)-2-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]cyclopropane-1-carboxylate

2-[3-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]ethanol;N-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;ethyl (2R)-2-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]cyclopropane-1-carboxylate (PubChem CID 162264128) has the molecular formula C110H109N21O14 and a molecular weight of 1949.21 g/mol. Its IUPAC name is 2-[3-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]ethanol;N-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;ethyl (2R)-2-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: 2-[3-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]ethanol;N-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;ethyl (2R)-2-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]cyclopropane-1-carboxylate
• PubChem CID: 162264128
• Molecular Formula: C110H109N21O14
• Molecular Weight: 1949.21 g/mol
• Exact Mass: 1947.85
• IUPAC Name: 2-[3-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]ethanol;N-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;ethyl (2R)-2-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]cyclopropane-1-carboxylate
• SMILES: CCOC(=O)C1C[C@H]1CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C5CC(CCO)C5)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ccco2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C29H24N6O4.C29H33N5O3.C27H29N5O4.C25H23N5O3/c1-38-21-11-20(12-22(14-21)39-2)34(9-10-35-28(36)23-5-3-4-6-24(23)29(35)37)19-7-8-25-26(13-19)33-27(17-30-25)18-15-31-32-16-18;1-36-25-11-23(12-26(14-25)37-2)33(17-19-3-4-19)22-5-6-27-28(13-22)32-29(16-30-27)21-15-31-34(18-21)24-9-20(10-24)7-8-35;1-5-36-27(33)23-8-17(23)16-32(20-9-21(34-3)12-22(10-20)35-4)19-6-7-24-25(11-19)30-26(14-28-24)18-13-29-31(2)15-18;1-29-15-17(13-27-29)25-14-26-23-7-6-18(11-24(23)28-25)30(16-20-5-4-8-33-20)19-9-21(31-2)12-22(10-19)32-3/h3-8,11-17H,9-10H2,1-2H3,(H,31,32);5-6,11-16,18-20,24,35H,3-4,7-10,17H2,1-2H3;6-7,9-15,17,23H,5,8,16H2,1-4H3;4-15H,16H2,1-3H3/t;;17-,23?;/m..0./s1
• InChIKey: ZZQVTZBHKGHQBP-PMMCOGQBSA-N
• XLogP: 19.23
• TPSA: 369.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 34
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1949.21
LogP ≤ 5	19.23
H-Bond Donors ≤ 5	2
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 2-[3-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]ethanol;N-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;ethyl (2R)-2-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]cyclopropane-1-carboxylate?

The IUPAC name of 2-[3-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]ethanol;N-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;ethyl (2R)-2-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]cyclopropane-1-carboxylate (CID 162264128) is 2-[3-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]ethanol;N-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;ethyl (2R)-2-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]cyclopropane-1-carboxylate.

What is the SMILES notation for 2-[3-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]ethanol;N-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;ethyl (2R)-2-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]cyclopropane-1-carboxylate?

The canonical SMILES for 2-[3-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]ethanol;N-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;ethyl (2R)-2-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]cyclopropane-1-carboxylate is CCOC(=O)C1C[C@H]1CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C5CC(CCO)C5)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ccco2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of 2-[3-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]ethanol;N-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;ethyl (2R)-2-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]cyclopropane-1-carboxylate?

The InChIKey is ZZQVTZBHKGHQBP-PMMCOGQBSA-N. The full InChI is InChI=1S/C29H24N6O4.C29H33N5O3.C27H29N5O4.C25H23N5O3/c1-38-21-11-20(12-22(14-21)39-2)34(9-10-35-28(36)23-5-3-4-6-24(23)29(35)37)19-7-8-25-26(13-19)33-27(17-30-25)18-15-31-32-16-18;1-36-25-11-23(12-26(14-25)37-2)33(17-19-3-4-19)22-5-6-27-28(13-22)32-29(16-30-27)21-15-31-34(18-21)24-9-20(10-24)7-8-35;1-5-36-27(33)23-8-17(23)16-32(20-9-21(34-3)12-22(10-20)35-4)19-6-7-24-25(11-19)30-26(14-28-24)18-13-29-31(2)15-18;1-29-15-17(13-27-29)25-14-26-23-7-6-18(11-24(23)28-25)30(16-20-5-4-8-33-20)19-9-21(31-2)12-22(10-19)32-3/h3-8,11-17H,9-10H2,1-2H3,(H,31,32);5-6,11-16,18-20,24,35H,3-4,7-10,17H2,1-2H3;6-7,9-15,17,23H,5,8,16H2,1-4H3;4-15H,16H2,1-3H3/t;;17-,23?;/m..0./s1.

What are the key properties of 2-[3-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]ethanol;N-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;ethyl (2R)-2-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]cyclopropane-1-carboxylate?

2-[3-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]ethanol;N-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;ethyl (2R)-2-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]cyclopropane-1-carboxylate has a molecular weight of 1949.21 g/mol, XLogP of 19.23, 34 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]cyclobutyl]ethanol;N-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;ethyl (2R)-2-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 162264128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).