sodium;2-chloro-6,7-difluoro-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6,7-difluoroquinoxaline;7,8-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide

C39H40Cl3F6N18Na — CID 160828990

About sodium;2-chloro-6,7-difluoro-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6,7-difluoroquinoxaline;7,8-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide

sodium;2-chloro-6,7-difluoro-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6,7-difluoroquinoxaline;7,8-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide (PubChem CID 160828990) has the molecular formula C39H40Cl3F6N18Na and a molecular weight of 1004.21 g/mol. Its IUPAC name is sodium;2-chloro-6,7-difluoro-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6,7-difluoroquinoxaline;7,8-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide.

Molecular Properties

• Compound Name: sodium;2-chloro-6,7-difluoro-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6,7-difluoroquinoxaline;7,8-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide
• PubChem CID: 160828990
• Molecular Formula: C39H40Cl3F6N18Na
• Molecular Weight: 1004.21 g/mol
• Exact Mass: 1002.26
• IUPAC Name: sodium;2-chloro-6,7-difluoro-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6,7-difluoroquinoxaline;7,8-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide
• SMILES: CN1CCN(c2nc3cc(F)c(F)cc3n3nnnc23)CC1.CN1CCN(c2nc3cc(F)c(F)cc3nc2Cl)CC1.CN1CCNCC1.Fc1cc2nc(Cl)c(Cl)nc2cc1F.[N-]=[N+]=[N-].[Na+]
• InChI: InChI=1S/C13H13ClF2N4.C13H13F2N7.C8H2Cl2F2N2.C5H12N2.N3.Na/c1-19-2-4-20(5-3-19)13-12(14)17-10-6-8(15)9(16)7-11(10)18-13;1-20-2-4-21(5-3-20)12-13-17-18-19-22(13)11-7-9(15)8(14)6-10(11)16-12;9-7-8(10)14-6-2-4(12)3(11)1-5(6)13-7;1-7-4-2-6-3-5-7;1-3-2;/h6-7H,2-5H2,1H3;6-7H,2-5H2,1H3;1-2H;6H,2-5H2,1H3;;/q;;;;-1;+1
• InChIKey: ARJUUMKIQHCXQJ-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 194.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 2
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1004.21
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-chloro-6,7-difluoro-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6,7-difluoroquinoxaline;7,8-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide?

The IUPAC name of sodium;2-chloro-6,7-difluoro-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6,7-difluoroquinoxaline;7,8-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide (CID 160828990) is sodium;2-chloro-6,7-difluoro-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6,7-difluoroquinoxaline;7,8-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide.

What is the SMILES notation for sodium;2-chloro-6,7-difluoro-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6,7-difluoroquinoxaline;7,8-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide?

The canonical SMILES for sodium;2-chloro-6,7-difluoro-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6,7-difluoroquinoxaline;7,8-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide is CN1CCN(c2nc3cc(F)c(F)cc3n3nnnc23)CC1.CN1CCN(c2nc3cc(F)c(F)cc3nc2Cl)CC1.CN1CCNCC1.Fc1cc2nc(Cl)c(Cl)nc2cc1F.[N-]=[N+]=[N-].[Na+].

What is the InChIKey of sodium;2-chloro-6,7-difluoro-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6,7-difluoroquinoxaline;7,8-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide?

The InChIKey is ARJUUMKIQHCXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N4.C13H13F2N7.C8H2Cl2F2N2.C5H12N2.N3.Na/c1-19-2-4-20(5-3-19)13-12(14)17-10-6-8(15)9(16)7-11(10)18-13;1-20-2-4-21(5-3-20)12-13-17-18-19-22(13)11-7-9(15)8(14)6-10(11)16-12;9-7-8(10)14-6-2-4(12)3(11)1-5(6)13-7;1-7-4-2-6-3-5-7;1-3-2;/h6-7H,2-5H2,1H3;6-7H,2-5H2,1H3;1-2H;6H,2-5H2,1H3;;/q;;;;-1;+1.

What are the key properties of sodium;2-chloro-6,7-difluoro-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6,7-difluoroquinoxaline;7,8-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide?

sodium;2-chloro-6,7-difluoro-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6,7-difluoroquinoxaline;7,8-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide has a molecular weight of 1004.21 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-chloro-6,7-difluoro-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6,7-difluoroquinoxaline;7,8-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide is sourced from PubChem (CID 160828990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).