N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione

C108H113ClF2N22O12 — CID 157351099

About N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione

N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione (PubChem CID 157351099) has the molecular formula C108H113ClF2N22O12 and a molecular weight of 1984.68 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione
• PubChem CID: 157351099
• Molecular Formula: C108H113ClF2N22O12
• Molecular Weight: 1984.68 g/mol
• Exact Mass: 1982.86
• IUPAC Name: N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione
• SMILES: CCCN(c1ccc2ncc(-c3cn[nH]c3)nc2c1)c1cc(OC)ccc1Cl.CCn1cc(-c2cnc3ccc(N(CCN4C(=O)c5ccccc5C4=O)c4cc(OC)cc(OC)c4)cc3n2)cn1.COc1cc(OC)cc(N(CC(C)(C)C)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNC(=O)C(C)(O)C(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C31H28N6O4.C29H35N5O3.C27H30F2N6O4.C21H20ClN5O/c1-4-35-19-20(17-33-35)29-18-32-27-10-9-21(15-28(27)34-29)36(22-13-23(40-2)16-24(14-22)41-3)11-12-37-30(38)25-7-5-6-8-26(25)31(37)39;1-29(2,3)19-33(22-12-23(35-4)15-24(13-22)36-5)21-9-10-25-26(14-21)32-27(17-30-25)20-16-31-34(18-20)28-8-6-7-11-37-28;1-26(37,27(2,28)29)25(36)30-8-9-35(19-10-20(38-4)13-21(11-19)39-5)18-6-7-22-23(12-18)33-24(15-31-22)17-14-32-34(3)16-17;1-3-8-27(21-10-16(28-2)5-6-17(21)22)15-4-7-18-19(9-15)26-20(13-23-18)14-11-24-25-12-14/h5-10,13-19H,4,11-12H2,1-3H3;9-10,12-18,28H,6-8,11,19H2,1-5H3;6-7,10-16,37H,8-9H2,1-5H3,(H,30,36);4-7,9-13H,3,8H2,1-2H3,(H,24,25)
• InChIKey: BHNRXNPHWRBHRQ-UHFFFAOYSA-N
• XLogP: 20.30
• TPSA: 358.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 32
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1984.68
LogP ≤ 5	20.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

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-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione?

The IUPAC name of N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione (CID 157351099) is N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione.

What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione?

The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione is CCCN(c1ccc2ncc(-c3cn[nH]c3)nc2c1)c1cc(OC)ccc1Cl.CCn1cc(-c2cnc3ccc(N(CCN4C(=O)c5ccccc5C4=O)c4cc(OC)cc(OC)c4)cc3n2)cn1.COc1cc(OC)cc(N(CC(C)(C)C)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNC(=O)C(C)(O)C(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione?

The InChIKey is BHNRXNPHWRBHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O4.C29H35N5O3.C27H30F2N6O4.C21H20ClN5O/c1-4-35-19-20(17-33-35)29-18-32-27-10-9-21(15-28(27)34-29)36(22-13-23(40-2)16-24(14-22)41-3)11-12-37-30(38)25-7-5-6-8-26(25)31(37)39;1-29(2,3)19-33(22-12-23(35-4)15-24(13-22)36-5)21-9-10-25-26(14-21)32-27(17-30-25)20-16-31-34(18-20)28-8-6-7-11-37-28;1-26(37,27(2,28)29)25(36)30-8-9-35(19-10-20(38-4)13-21(11-19)39-5)18-6-7-22-23(12-18)33-24(15-31-22)17-14-32-34(3)16-17;1-3-8-27(21-10-16(28-2)5-6-17(21)22)15-4-7-18-19(9-15)26-20(13-23-18)14-11-24-25-12-14/h5-10,13-19H,4,11-12H2,1-3H3;9-10,12-18,28H,6-8,11,19H2,1-5H3;6-7,10-16,37H,8-9H2,1-5H3,(H,30,36);4-7,9-13H,3,8H2,1-2H3,(H,24,25).

What are the key properties of N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione?

N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione has a molecular weight of 1984.68 g/mol, XLogP of 20.30, 32 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;N-(3,5-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 157351099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).