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

C70H91Cl7N28NaO9P — CID 159042109

IUPACsodium;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;diethyl oxalate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoxaline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)hydrazine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride
SMILESC1CNCCN1.CCOC(=O)C(=O)OCC.Cc1ccc(N)c(N)c1.Cc1ccc2[nH]c(=O)c(=O)[nH]c2c1.Cc1ccc2nc(Cl)c(Cl)nc2c1.Cc1ccc2nc(Cl)c(NN)nc2c1.Cc1ccc2nc(N3CCNCC3)c(NN)nc2c1.Cc1ccc2nc(N3CCNCC3)c3nnnn3c2c1.Cl.NN.O=N[O-].O=P(Cl)(Cl)Cl.[Na+]
InChIInChI=1S/C13H15N7.C13H18N6.C9H6Cl2N2.C9H9ClN4.C9H8N2O2.C7H10N2.C6H10O4.C4H10N2.Cl3OP.ClH.H4N2.HNO2.Na/c1-9-2-3-10-11(8-9)20-13(16-17-18-20)12(15-10)19-6-4-14-5-7-19;1-9-2-3-10-11(8-9)16-12(18-14)13(17-10)19-6-4-15-5-7-19;1-5-2-3-6-7(4-5)13-9(11)8(10)12-6;1-5-2-3-6-7(4-5)13-9(14-11)8(10)12-6;1-5-2-3-6-7(4-5)11-9(13)8(12)10-6;1-5-2-3-6(8)7(9)4-5;1-3-9-5(7)6(8)10-4-2;1-2-6-4-3-5-1;1-5(2,3)4;;1-2;2-1-3;/h2-3,8,14H,4-7H2,1H3;2-3,8,15H,4-7,14H2,1H3,(H,16,18);2-4H,1H3;2-4H,11H2,1H3,(H,13,14);2-4H,1H3,(H,10,12)(H,11,13);2-4H,8-9H2,1H3;3-4H2,1-2H3;5-6H,1-4H2;;1H;1-2H2;(H,2,3);/q;;;;;;;;;;;;+1/p-1
InChIKeyBCBLGRNFZQYNAQ-UHFFFAOYSA-M
MW1770.82 g/mol
LogP6.43
Rot. Bonds6

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

sodium;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;diethyl oxalate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoxaline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)hydrazine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride (PubChem CID 159042109) has the molecular formula C70H91Cl7N28NaO9P and a molecular weight of 1770.82 g/mol. Its IUPAC name is sodium;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;diethyl oxalate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoxaline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)hydrazine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride.

Molecular Properties

Compound Namesodium;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;diethyl oxalate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoxaline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)hydrazine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride
PubChem CID159042109
Molecular FormulaC70H91Cl7N28NaO9P
Molecular Weight1770.82 g/mol
Exact Mass1766.50
IUPAC Namesodium;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;diethyl oxalate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoxaline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)hydrazine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride
SMILESC1CNCCN1.CCOC(=O)C(=O)OCC.Cc1ccc(N)c(N)c1.Cc1ccc2[nH]c(=O)c(=O)[nH]c2c1.Cc1ccc2nc(Cl)c(Cl)nc2c1.Cc1ccc2nc(Cl)c(NN)nc2c1.Cc1ccc2nc(N3CCNCC3)c(NN)nc2c1.Cc1ccc2nc(N3CCNCC3)c3nnnn3c2c1.Cl.NN.O=N[O-].O=P(Cl)(Cl)Cl.[Na+]
InChIInChI=1S/C13H15N7.C13H18N6.C9H6Cl2N2.C9H9ClN4.C9H8N2O2.C7H10N2.C6H10O4.C4H10N2.Cl3OP.ClH.H4N2.HNO2.Na/c1-9-2-3-10-11(8-9)20-13(16-17-18-20)12(15-10)19-6-4-14-5-7-19;1-9-2-3-10-11(8-9)16-12(18-14)13(17-10)19-6-4-15-5-7-19;1-5-2-3-6-7(4-5)13-9(11)8(10)12-6;1-5-2-3-6-7(4-5)13-9(14-11)8(10)12-6;1-5-2-3-6-7(4-5)11-9(13)8(12)10-6;1-5-2-3-6(8)7(9)4-5;1-3-9-5(7)6(8)10-4-2;1-2-6-4-3-5-1;1-5(2,3)4;;1-2;2-1-3;/h2-3,8,14H,4-7H2,1H3;2-3,8,15H,4-7,14H2,1H3,(H,16,18);2-4H,1H3;2-4H,11H2,1H3,(H,13,14);2-4H,1H3,(H,10,12)(H,11,13);2-4H,8-9H2,1H3;3-4H2,1-2H3;5-6H,1-4H2;;1H;1-2H2;(H,2,3);/q;;;;;;;;;;;;+1/p-1
InChIKeyBCBLGRNFZQYNAQ-UHFFFAOYSA-M
XLogP6.43
TPSA555.97 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds6
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001770.82
LogP ≤ 56.43
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

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'}

Analyze sodium;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;diethyl oxalate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoxaline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)hydrazine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride with MolForge

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Related Compounds

[7-Chloro-3-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxalin-2-yl]hydrazine;8-chloro-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-5-(trifluoromethyl)benzene-1,2-diamine;6-chloro-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;2,7-dichloro-3-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;diethyl oxalate;hydrazine;1-methylpiperazine;phosphoryl trichloride;2,3,6-trichloro-7-(trifluoromethyl)quinoxaline
CID 158100047
CID 159804402
CID 159804402
CID 161404318
CID 161404318
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
CID 162031299
CID 162031299

Frequently Asked Questions

What is the IUPAC name of sodium;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;diethyl oxalate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoxaline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)hydrazine;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)hydrazine;2,3-dichloro-6-methylquinoxaline;diethyl oxalate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoxaline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)hydrazine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride (CID 159042109) is sodium;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;diethyl oxalate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoxaline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)hydrazine;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)hydrazine;2,3-dichloro-6-methylquinoxaline;diethyl oxalate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoxaline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)hydrazine;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)hydrazine;2,3-dichloro-6-methylquinoxaline;diethyl oxalate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoxaline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)hydrazine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride is C1CNCCN1.CCOC(=O)C(=O)OCC.Cc1ccc(N)c(N)c1.Cc1ccc2[nH]c(=O)c(=O)[nH]c2c1.Cc1ccc2nc(Cl)c(Cl)nc2c1.Cc1ccc2nc(Cl)c(NN)nc2c1.Cc1ccc2nc(N3CCNCC3)c(NN)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)hydrazine;2,3-dichloro-6-methylquinoxaline;diethyl oxalate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoxaline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)hydrazine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride?
The InChIKey is BCBLGRNFZQYNAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H15N7.C13H18N6.C9H6Cl2N2.C9H9ClN4.C9H8N2O2.C7H10N2.C6H10O4.C4H10N2.Cl3OP.ClH.H4N2.HNO2.Na/c1-9-2-3-10-11(8-9)20-13(16-17-18-20)12(15-10)19-6-4-14-5-7-19;1-9-2-3-10-11(8-9)16-12(18-14)13(17-10)19-6-4-15-5-7-19;1-5-2-3-6-7(4-5)13-9(11)8(10)12-6;1-5-2-3-6-7(4-5)13-9(14-11)8(10)12-6;1-5-2-3-6-7(4-5)11-9(13)8(12)10-6;1-5-2-3-6(8)7(9)4-5;1-3-9-5(7)6(8)10-4-2;1-2-6-4-3-5-1;1-5(2,3)4;;1-2;2-1-3;/h2-3,8,14H,4-7H2,1H3;2-3,8,15H,4-7,14H2,1H3,(H,16,18);2-4H,1H3;2-4H,11H2,1H3,(H,13,14);2-4H,1H3,(H,10,12)(H,11,13);2-4H,8-9H2,1H3;3-4H2,1-2H3;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)hydrazine;2,3-dichloro-6-methylquinoxaline;diethyl oxalate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoxaline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)hydrazine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride?
sodium;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;diethyl oxalate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoxaline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)hydrazine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride has a molecular weight of 1770.82 g/mol, XLogP of 6.43, 6 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;diethyl oxalate;hydrazine;4-methylbenzene-1,2-diamine;6-methyl-1,4-dihydroquinoxaline-2,3-dione;(7-methyl-3-piperazin-1-ylquinoxalin-2-yl)hydrazine;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;phosphoryl trichloride;piperazine;nitrite;hydrochloride is sourced from PubChem (CID 159042109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).