sodium;(3-chloro-7-methylquinoxalin-2-yl)methanamine;2,3-dichloro-6-methylquinoxaline;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)methanamine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride

C72H92Cl7N25NaO8P — CID 158679090

About sodium;(3-chloro-7-methylquinoxalin-2-yl)methanamine;2,3-dichloro-6-methylquinoxaline;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)methanamine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride

sodium;(3-chloro-7-methylquinoxalin-2-yl)methanamine;2,3-dichloro-6-methylquinoxaline;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)methanamine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride (PubChem CID 158679090) has the molecular formula C72H92Cl7N25NaO8P and a molecular weight of 1737.83 g/mol. Its IUPAC name is sodium;(3-chloro-7-methylquinoxalin-2-yl)methanamine;2,3-dichloro-6-methylquinoxaline;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)methanamine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride.

Molecular Properties

• Compound Name: sodium;(3-chloro-7-methylquinoxalin-2-yl)methanamine;2,3-dichloro-6-methylquinoxaline;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)methanamine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride
• PubChem CID: 158679090
• Molecular Formula: C72H92Cl7N25NaO8P
• Molecular Weight: 1737.83 g/mol
• Exact Mass: 1733.50
• IUPAC Name: sodium;(3-chloro-7-methylquinoxalin-2-yl)methanamine;2,3-dichloro-6-methylquinoxaline;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)methanamine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride
• SMILES: C1CNCCN1.CCOC(=O)C(C)=O.Cc1ccc(N)c(N)c1.Cc1ccc2c(c1)CC(=O)C(=O)N2.Cc1ccc2nc(Cl)c(CN)nc2c1.Cc1ccc2nc(Cl)c(Cl)nc2c1.Cc1ccc2nc(N3CCNCC3)c(CN)nc2c1.Cc1ccc2nc(N3CCNCC3)c3nnnn3c2c1.Cl.NN.O=N[O-].O=P(Cl)(Cl)Cl.[Na+]
• InChI: InChI=1S/C14H19N5.C13H15N7.C10H10ClN3.C10H9NO2.C9H6Cl2N2.C7H10N2.C5H8O3.C4H10N2.Cl3OP.ClH.H4N2.HNO2.Na/c1-10-2-3-11-12(8-10)17-13(9-15)14(18-11)19-6-4-16-5-7-19;1-9-2-3-10-11(8-9)20-13(16-17-18-20)12(15-10)19-6-4-14-5-7-19;1-6-2-3-7-8(4-6)13-9(5-12)10(11)14-7;1-6-2-3-8-7(4-6)5-9(12)10(13)11-8;1-5-2-3-6-7(4-5)13-9(11)8(10)12-6;1-5-2-3-6(8)7(9)4-5;1-3-8-5(7)4(2)6;1-2-6-4-3-5-1;1-5(2,3)4;;1-2;2-1-3;/h2-3,8,16H,4-7,9,15H2,1H3;2-3,8,14H,4-7H2,1H3;2-4H,5,12H2,1H3;2-4H,5H2,1H3,(H,11,13);2-4H,1H3;2-4H,8-9H2,1H3;3H2,1-2H3;5-6H,1-4H2;;1H;1-2H2;(H,2,3);/q;;;;;;;;;;;;+1/p-1
• InChIKey: ZLELOEXUQJKECQ-UHFFFAOYSA-M
• XLogP: 7.33
• TPSA: 503.13 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 6
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1737.83
LogP ≤ 5	7.33
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;(3-chloro-7-methylquinoxalin-2-yl)methanamine;2,3-dichloro-6-methylquinoxaline;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)methanamine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride?

The IUPAC name of sodium;(3-chloro-7-methylquinoxalin-2-yl)methanamine;2,3-dichloro-6-methylquinoxaline;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)methanamine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride (CID 158679090) is sodium;(3-chloro-7-methylquinoxalin-2-yl)methanamine;2,3-dichloro-6-methylquinoxaline;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)methanamine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride.

What is the SMILES notation for sodium;(3-chloro-7-methylquinoxalin-2-yl)methanamine;2,3-dichloro-6-methylquinoxaline;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)methanamine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride?

The canonical SMILES for sodium;(3-chloro-7-methylquinoxalin-2-yl)methanamine;2,3-dichloro-6-methylquinoxaline;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)methanamine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride is C1CNCCN1.CCOC(=O)C(C)=O.Cc1ccc(N)c(N)c1.Cc1ccc2c(c1)CC(=O)C(=O)N2.Cc1ccc2nc(Cl)c(CN)nc2c1.Cc1ccc2nc(Cl)c(Cl)nc2c1.Cc1ccc2nc(N3CCNCC3)c(CN)nc2c1.Cc1ccc2nc(N3CCNCC3)c3nnnn3c2c1.Cl.NN.O=N[O-].O=P(Cl)(Cl)Cl.[Na+].

What is the InChIKey of sodium;(3-chloro-7-methylquinoxalin-2-yl)methanamine;2,3-dichloro-6-methylquinoxaline;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)methanamine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride?

The InChIKey is ZLELOEXUQJKECQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19N5.C13H15N7.C10H10ClN3.C10H9NO2.C9H6Cl2N2.C7H10N2.C5H8O3.C4H10N2.Cl3OP.ClH.H4N2.HNO2.Na/c1-10-2-3-11-12(8-10)17-13(9-15)14(18-11)19-6-4-16-5-7-19;1-9-2-3-10-11(8-9)20-13(16-17-18-20)12(15-10)19-6-4-14-5-7-19;1-6-2-3-7-8(4-6)13-9(5-12)10(11)14-7;1-6-2-3-8-7(4-6)5-9(12)10(13)11-8;1-5-2-3-6-7(4-5)13-9(11)8(10)12-6;1-5-2-3-6(8)7(9)4-5;1-3-8-5(7)4(2)6;1-2-6-4-3-5-1;1-5(2,3)4;;1-2;2-1-3;/h2-3,8,16H,4-7,9,15H2,1H3;2-3,8,14H,4-7H2,1H3;2-4H,5,12H2,1H3;2-4H,5H2,1H3,(H,11,13);2-4H,1H3;2-4H,8-9H2,1H3;3H2,1-2H3;5-6H,1-4H2;;1H;1-2H2;(H,2,3);/q;;;;;;;;;;;;+1/p-1.

What are the key properties of sodium;(3-chloro-7-methylquinoxalin-2-yl)methanamine;2,3-dichloro-6-methylquinoxaline;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)methanamine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride?

sodium;(3-chloro-7-methylquinoxalin-2-yl)methanamine;2,3-dichloro-6-methylquinoxaline;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)methanamine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride has a molecular weight of 1737.83 g/mol, XLogP of 7.33, 6 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(3-chloro-7-methylquinoxalin-2-yl)methanamine;2,3-dichloro-6-methylquinoxaline;ethyl 2-oxopropanoate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)methanamine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride is sourced from PubChem (CID 158679090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).