(NZ)-N-[1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ylidene]hydroxylamine;(2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(methylamino)propan-2-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]quinoxalin-6-amine;sulfane

C75H88N18O9S — CID 172954628

About (NZ)-N-[1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ylidene]hydroxylamine;(2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(methylamino)propan-2-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]quinoxalin-6-amine;sulfane

(NZ)-N-[1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ylidene]hydroxylamine;(2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(methylamino)propan-2-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]quinoxalin-6-amine;sulfane (PubChem CID 172954628) has the molecular formula C75H88N18O9S and a molecular weight of 1417.71 g/mol. Its IUPAC name is (NZ)-N-[1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ylidene]hydroxylamine;(2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(methylamino)propan-2-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]quinoxalin-6-amine;sulfane.

Molecular Properties

• Compound Name: (NZ)-N-[1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ylidene]hydroxylamine;(2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(methylamino)propan-2-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]quinoxalin-6-amine;sulfane
• PubChem CID: 172954628
• Molecular Formula: C75H88N18O9S
• Molecular Weight: 1417.71 g/mol
• Exact Mass: 1416.67
• IUPAC Name: (NZ)-N-[1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ylidene]hydroxylamine;(2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(methylamino)propan-2-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]quinoxalin-6-amine;sulfane
• SMILES: CNC[C@@H](O)CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.COC/C(CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1)=N\O.COc1cc(OC)cc(N(CCN2CCC[C@@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.S
• InChI: InChI=1S/C27H32N6O2.C24H26N6O4.C24H28N6O3.H2S/c1-19-6-5-9-32(19)10-11-33(22-12-23(34-3)15-24(13-22)35-4)21-7-8-25-26(14-21)30-27(17-28-25)20-16-29-31(2)18-20;1-29-13-16(11-26-29)24-12-25-22-6-5-18(9-23(22)27-24)30(14-17(28-31)15-32-2)19-7-20(33-3)10-21(8-19)34-4;1-25-12-19(31)15-30(18-7-20(32-3)10-21(8-18)33-4)17-5-6-22-23(9-17)28-24(13-26-22)16-11-27-29(2)14-16;/h7-8,12-19H,5-6,9-11H2,1-4H3;5-13,31H,14-15H2,1-4H3;5-11,13-14,19,25,31H,12,15H2,1-4H3;1H2/b;28-17-;;/t19-;;19-;/m0.1./s1
• InChIKey: OLZBABOFDVYVIC-HZQVLPTESA-N
• XLogP: 11.21
• TPSA: 273.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1417.71
LogP ≤ 5	11.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ylidene]hydroxylamine;(2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(methylamino)propan-2-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]quinoxalin-6-amine;sulfane?

The IUPAC name of (NZ)-N-[1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ylidene]hydroxylamine;(2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(methylamino)propan-2-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]quinoxalin-6-amine;sulfane (CID 172954628) is (NZ)-N-[1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ylidene]hydroxylamine;(2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(methylamino)propan-2-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]quinoxalin-6-amine;sulfane.

What is the SMILES notation for (NZ)-N-[1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ylidene]hydroxylamine;(2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(methylamino)propan-2-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]quinoxalin-6-amine;sulfane?

The canonical SMILES for (NZ)-N-[1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ylidene]hydroxylamine;(2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(methylamino)propan-2-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]quinoxalin-6-amine;sulfane is CNC[C@@H](O)CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.COC/C(CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1)=N\O.COc1cc(OC)cc(N(CCN2CCC[C@@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.S.

What is the InChIKey of (NZ)-N-[1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ylidene]hydroxylamine;(2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(methylamino)propan-2-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]quinoxalin-6-amine;sulfane?

The InChIKey is OLZBABOFDVYVIC-HZQVLPTESA-N. The full InChI is InChI=1S/C27H32N6O2.C24H26N6O4.C24H28N6O3.H2S/c1-19-6-5-9-32(19)10-11-33(22-12-23(34-3)15-24(13-22)35-4)21-7-8-25-26(14-21)30-27(17-28-25)20-16-29-31(2)18-20;1-29-13-16(11-26-29)24-12-25-22-6-5-18(9-23(22)27-24)30(14-17(28-31)15-32-2)19-7-20(33-3)10-21(8-19)34-4;1-25-12-19(31)15-30(18-7-20(32-3)10-21(8-18)33-4)17-5-6-22-23(9-17)28-24(13-26-22)16-11-27-29(2)14-16;/h7-8,12-19H,5-6,9-11H2,1-4H3;5-13,31H,14-15H2,1-4H3;5-11,13-14,19,25,31H,12,15H2,1-4H3;1H2/b;28-17-;;/t19-;;19-;/m0.1./s1.

What are the key properties of (NZ)-N-[1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ylidene]hydroxylamine;(2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(methylamino)propan-2-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]quinoxalin-6-amine;sulfane?

(NZ)-N-[1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ylidene]hydroxylamine;(2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(methylamino)propan-2-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]quinoxalin-6-amine;sulfane has a molecular weight of 1417.71 g/mol, XLogP of 11.21, 26 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (NZ)-N-[1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ylidene]hydroxylamine;(2R)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(methylamino)propan-2-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]quinoxalin-6-amine;sulfane is sourced from PubChem (CID 172954628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).