sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-methylquinoxaline;ethane;7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;azide;trihydrochloride

C99H130Cl6N39NaO8 — CID 162173612

About sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-methylquinoxaline;ethane;7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;azide;trihydrochloride

sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-methylquinoxaline;ethane;7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;azide;trihydrochloride (PubChem CID 162173612) has the molecular formula C99H130Cl6N39NaO8 and a molecular weight of 2230.10 g/mol. Its IUPAC name is sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-methylquinoxaline;ethane;7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;azide;trihydrochloride.

Molecular Properties

• Compound Name: sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-methylquinoxaline;ethane;7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;azide;trihydrochloride
• PubChem CID: 162173612
• Molecular Formula: C99H130Cl6N39NaO8
• Molecular Weight: 2230.10 g/mol
• Exact Mass: 2225.90
• IUPAC Name: sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-methylquinoxaline;ethane;7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;azide;trihydrochloride
• SMILES: CC.CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3nc2Cl)CC1.CC(C)(C)OC(=O)N1CCNCC1.Cc1ccc2c(c1)nc(N1CCN(C(=O)OC(C)(C)C)CC1)c1nnnn12.Cc1ccc2c(c1)nc(N1CCNCC1)c1nnnn12.Cc1ccc2nc(Cl)c(Cl)nc2c1.Cc1ccc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)c3nnnn3c2c1.Cc1ccc2nc(N3CCNCC3)c3nnnn3c2c1.Cl.Cl.Cl.[N-]=[N+]=[N-].[Na+]
• InChI: InChI=1S/2C18H23N7O2.C17H21ClN4O2.2C13H15N7.C9H6Cl2N2.C9H18N2O2.C2H6.3ClH.N3.Na/c1-12-5-6-14-13(11-12)19-15(16-20-21-22-25(14)16)23-7-9-24(10-8-23)17(26)27-18(2,3)4;1-12-5-6-13-14(11-12)25-16(20-21-22-25)15(19-13)23-7-9-24(10-8-23)17(26)27-18(2,3)4;1-17(2,3)24-16(23)22-10-8-21(9-11-22)15-14(18)19-12-6-4-5-7-13(12)20-15;1-9-2-3-11-10(8-9)15-12(13-16-17-18-20(11)13)19-6-4-14-5-7-19;1-9-2-3-10-11(8-9)20-13(16-17-18-20)12(15-10)19-6-4-14-5-7-19;1-5-2-3-6-7(4-5)13-9(11)8(10)12-6;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2;;;;1-3-2;/h2*5-6,11H,7-10H2,1-4H3;4-7H,8-11H2,1-3H3;2*2-3,8,14H,4-7H2,1H3;2-4H,1H3;10H,4-7H2,1-3H3;1-2H3;3*1H;;/q;;;;;;;;;;;-1;+1
• InChIKey: CUIIGCONXYMAMJ-UHFFFAOYSA-N
• XLogP: 12.43
• TPSA: 504.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 40
• Rotatable Bonds: 5
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2230.10
LogP ≤ 5	12.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', '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;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-methylquinoxaline;ethane;7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;azide;trihydrochloride?

The IUPAC name of sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-methylquinoxaline;ethane;7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;azide;trihydrochloride (CID 162173612) is sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-methylquinoxaline;ethane;7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;azide;trihydrochloride.

What is the SMILES notation for sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-methylquinoxaline;ethane;7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;azide;trihydrochloride?

The canonical SMILES for sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-methylquinoxaline;ethane;7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;azide;trihydrochloride is CC.CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3nc2Cl)CC1.CC(C)(C)OC(=O)N1CCNCC1.Cc1ccc2c(c1)nc(N1CCN(C(=O)OC(C)(C)C)CC1)c1nnnn12.Cc1ccc2c(c1)nc(N1CCNCC1)c1nnnn12.Cc1ccc2nc(Cl)c(Cl)nc2c1.Cc1ccc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)c3nnnn3c2c1.Cc1ccc2nc(N3CCNCC3)c3nnnn3c2c1.Cl.Cl.Cl.[N-]=[N+]=[N-].[Na+].

What is the InChIKey of sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-methylquinoxaline;ethane;7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;azide;trihydrochloride?

The InChIKey is CUIIGCONXYMAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H23N7O2.C17H21ClN4O2.2C13H15N7.C9H6Cl2N2.C9H18N2O2.C2H6.3ClH.N3.Na/c1-12-5-6-14-13(11-12)19-15(16-20-21-22-25(14)16)23-7-9-24(10-8-23)17(26)27-18(2,3)4;1-12-5-6-13-14(11-12)25-16(20-21-22-25)15(19-13)23-7-9-24(10-8-23)17(26)27-18(2,3)4;1-17(2,3)24-16(23)22-10-8-21(9-11-22)15-14(18)19-12-6-4-5-7-13(12)20-15;1-9-2-3-11-10(8-9)15-12(13-16-17-18-20(11)13)19-6-4-14-5-7-19;1-9-2-3-10-11(8-9)20-13(16-17-18-20)12(15-10)19-6-4-14-5-7-19;1-5-2-3-6-7(4-5)13-9(11)8(10)12-6;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2;;;;1-3-2;/h2*5-6,11H,7-10H2,1-4H3;4-7H,8-11H2,1-3H3;2*2-3,8,14H,4-7H2,1H3;2-4H,1H3;10H,4-7H2,1-3H3;1-2H3;3*1H;;/q;;;;;;;;;;;-1;+1.

What are the key properties of sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-methylquinoxaline;ethane;7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;azide;trihydrochloride?

sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-methylquinoxaline;ethane;7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;azide;trihydrochloride has a molecular weight of 2230.10 g/mol, XLogP of 12.43, 5 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-methylquinoxaline;ethane;7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;azide;trihydrochloride is sourced from PubChem (CID 162173612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).