4-chloro-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;(3-chloro-6-methylquinoxalin-2-yl)hydrazine;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;6-methyl-1,4-dihydroquinoline-2,3-dione

C59H51Cl6N19O2 — CID 159042866

IUPAC4-chloro-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;(3-chloro-6-methylquinoxalin-2-yl)hydrazine;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;6-methyl-1,4-dihydroquinoline-2,3-dione
SMILESCc1ccc2c(c1)CC(=O)C(=O)N2.Cc1ccc2c(c1)nc(Cl)c1nnc(C)n12.Cc1ccc2nc(Cl)c(Cl)nc2c1.Cc1ccc2nc(Cl)c(NN)nc2c1.Cc1ccc2nc(Cl)c3nnc(C)n3c2c1.Cc1ccc2nc(NN)c(Cl)nc2c1
InChIInChI=1S/2C11H9ClN4.C10H9NO2.C9H6Cl2N2.2C9H9ClN4/c1-6-3-4-9-8(5-6)13-10(12)11-15-14-7(2)16(9)11;1-6-3-4-8-9(5-6)16-7(2)14-15-11(16)10(12)13-8;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;1-5-2-3-6-7(4-5)12-8(10)9(13-6)14-11;1-5-2-3-6-7(4-5)13-9(14-11)8(10)12-6/h2*3-5H,1-2H3;2-4H,5H2,1H3,(H,11,13);2-4H,1H3;2*2-4H,11H2,1H3,(H,13,14)
InChIKeyJWHBZFQZXWIHSZ-UHFFFAOYSA-N
MW1270.91 g/mol
LogP13.15
Rot. Bonds2

About 4-chloro-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;(3-chloro-6-methylquinoxalin-2-yl)hydrazine;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;6-methyl-1,4-dihydroquinoline-2,3-dione

4-chloro-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;(3-chloro-6-methylquinoxalin-2-yl)hydrazine;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;6-methyl-1,4-dihydroquinoline-2,3-dione (PubChem CID 159042866) has the molecular formula C59H51Cl6N19O2 and a molecular weight of 1270.91 g/mol. Its IUPAC name is 4-chloro-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;(3-chloro-6-methylquinoxalin-2-yl)hydrazine;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;6-methyl-1,4-dihydroquinoline-2,3-dione.

Molecular Properties

Compound Name4-chloro-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;(3-chloro-6-methylquinoxalin-2-yl)hydrazine;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;6-methyl-1,4-dihydroquinoline-2,3-dione
PubChem CID159042866
Molecular FormulaC59H51Cl6N19O2
Molecular Weight1270.91 g/mol
Exact Mass1267.26
IUPAC Name4-chloro-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;(3-chloro-6-methylquinoxalin-2-yl)hydrazine;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;6-methyl-1,4-dihydroquinoline-2,3-dione
SMILESCc1ccc2c(c1)CC(=O)C(=O)N2.Cc1ccc2c(c1)nc(Cl)c1nnc(C)n12.Cc1ccc2nc(Cl)c(Cl)nc2c1.Cc1ccc2nc(Cl)c(NN)nc2c1.Cc1ccc2nc(Cl)c3nnc(C)n3c2c1.Cc1ccc2nc(NN)c(Cl)nc2c1
InChIInChI=1S/2C11H9ClN4.C10H9NO2.C9H6Cl2N2.2C9H9ClN4/c1-6-3-4-9-8(5-6)13-10(12)11-15-14-7(2)16(9)11;1-6-3-4-8-9(5-6)16-7(2)14-15-11(16)10(12)13-8;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;1-5-2-3-6-7(4-5)12-8(10)9(13-6)14-11;1-5-2-3-6-7(4-5)13-9(14-11)8(10)12-6/h2*3-5H,1-2H3;2-4H,5H2,1H3,(H,11,13);2-4H,1H3;2*2-4H,11H2,1H3,(H,13,14)
InChIKeyJWHBZFQZXWIHSZ-UHFFFAOYSA-N
XLogP13.15
TPSA285.77 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds2
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001270.91
LogP ≤ 513.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4-chloro-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;(3-chloro-6-methylquinoxalin-2-yl)hydrazine;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;6-methyl-1,4-dihydroquinoline-2,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;(3-chloro-6-methylquinoxalin-2-yl)hydrazine;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;6-methyl-1,4-dihydroquinoline-2,3-dione?
The IUPAC name of 4-chloro-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;(3-chloro-6-methylquinoxalin-2-yl)hydrazine;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;6-methyl-1,4-dihydroquinoline-2,3-dione (CID 159042866) is 4-chloro-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;(3-chloro-6-methylquinoxalin-2-yl)hydrazine;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;6-methyl-1,4-dihydroquinoline-2,3-dione.
What is the SMILES notation for 4-chloro-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;(3-chloro-6-methylquinoxalin-2-yl)hydrazine;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;6-methyl-1,4-dihydroquinoline-2,3-dione?
The canonical SMILES for 4-chloro-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;(3-chloro-6-methylquinoxalin-2-yl)hydrazine;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;6-methyl-1,4-dihydroquinoline-2,3-dione is Cc1ccc2c(c1)CC(=O)C(=O)N2.Cc1ccc2c(c1)nc(Cl)c1nnc(C)n12.Cc1ccc2nc(Cl)c(Cl)nc2c1.Cc1ccc2nc(Cl)c(NN)nc2c1.Cc1ccc2nc(Cl)c3nnc(C)n3c2c1.Cc1ccc2nc(NN)c(Cl)nc2c1.
What is the InChIKey of 4-chloro-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;(3-chloro-6-methylquinoxalin-2-yl)hydrazine;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;6-methyl-1,4-dihydroquinoline-2,3-dione?
The InChIKey is JWHBZFQZXWIHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H9ClN4.C10H9NO2.C9H6Cl2N2.2C9H9ClN4/c1-6-3-4-9-8(5-6)13-10(12)11-15-14-7(2)16(9)11;1-6-3-4-8-9(5-6)16-7(2)14-15-11(16)10(12)13-8;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;1-5-2-3-6-7(4-5)12-8(10)9(13-6)14-11;1-5-2-3-6-7(4-5)13-9(14-11)8(10)12-6/h2*3-5H,1-2H3;2-4H,5H2,1H3,(H,11,13);2-4H,1H3;2*2-4H,11H2,1H3,(H,13,14).
What are the key properties of 4-chloro-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;(3-chloro-6-methylquinoxalin-2-yl)hydrazine;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;6-methyl-1,4-dihydroquinoline-2,3-dione?
4-chloro-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;(3-chloro-6-methylquinoxalin-2-yl)hydrazine;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;6-methyl-1,4-dihydroquinoline-2,3-dione has a molecular weight of 1270.91 g/mol, XLogP of 13.15, 2 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline;(3-chloro-6-methylquinoxalin-2-yl)hydrazine;(3-chloro-7-methylquinoxalin-2-yl)hydrazine;2,3-dichloro-6-methylquinoxaline;6-methyl-1,4-dihydroquinoline-2,3-dione is sourced from PubChem (CID 159042866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).