6,7-dichloro-2-methyl-3-(4-methylpiperazin-1-yl)quinoxaline

C14H16Cl2N4 — CID 24854635

IUPAC6,7-dichloro-2-methyl-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCc1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C)CC1
InChIInChI=1S/C14H16Cl2N4/c1-9-14(20-5-3-19(2)4-6-20)18-13-8-11(16)10(15)7-12(13)17-9/h7-8H,3-6H2,1-2H3
InChIKeyFSLJVYWURXHTHK-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.00
Rot. Bonds1

About 6,7-dichloro-2-methyl-3-(4-methylpiperazin-1-yl)quinoxaline

6,7-dichloro-2-methyl-3-(4-methylpiperazin-1-yl)quinoxaline (PubChem CID 24854635) has the molecular formula C14H16Cl2N4 and a molecular weight of 311.22 g/mol. Its IUPAC name is 6,7-dichloro-2-methyl-3-(4-methylpiperazin-1-yl)quinoxaline.

Molecular Properties

Compound Name6,7-dichloro-2-methyl-3-(4-methylpiperazin-1-yl)quinoxaline
PubChem CID24854635
Molecular FormulaC14H16Cl2N4
Molecular Weight311.22 g/mol
Exact Mass310.08
IUPAC Name6,7-dichloro-2-methyl-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCc1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C)CC1
InChIInChI=1S/C14H16Cl2N4/c1-9-14(20-5-3-19(2)4-6-20)18-13-8-11(16)10(15)7-12(13)17-9/h7-8H,3-6H2,1-2H3
InChIKeyFSLJVYWURXHTHK-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24278976
2-[4-(4-Chlorophenyl)piperazin-1-yl]quinoxaline
CID 2764801
Cambridge id 5745286
CID 767246
6,7-Dichloro-2-methoxy-3-(4-methylpiperazinyl)-quinoxaline
CID 23649429
7-Chloro-2-methoxy-3-(4-methylpiperazinyl)-quinoxaline
CID 24759624
6,7-Dichloro-2,3-dimethylquinoxaline
CID 191258
2-Chloro-3-(piperazin-1-yl)quinoxaline hydrochloride
CID 12686417
Pyrido(3,2-d)pyrimidine-2,4-diamine, 6-(((3,4-dichlorophenyl)amino)methyl)-
CID 457744
6-[(3,4,5-Trichloroanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 457774
6-(((3,4-Dichlorophenyl)(methyl)amino)methyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 462102
6-[(3,4,5-trichloro-N-methyl-anilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 462104
6-[(4-chloro-N-methyl-anilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 464890

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-methyl-3-(4-methylpiperazin-1-yl)quinoxaline?
The IUPAC name of 6,7-dichloro-2-methyl-3-(4-methylpiperazin-1-yl)quinoxaline (CID 24854635) is 6,7-dichloro-2-methyl-3-(4-methylpiperazin-1-yl)quinoxaline.
What is the SMILES notation for 6,7-dichloro-2-methyl-3-(4-methylpiperazin-1-yl)quinoxaline?
The canonical SMILES for 6,7-dichloro-2-methyl-3-(4-methylpiperazin-1-yl)quinoxaline is Cc1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C)CC1.
What is the InChIKey of 6,7-dichloro-2-methyl-3-(4-methylpiperazin-1-yl)quinoxaline?
The InChIKey is FSLJVYWURXHTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4/c1-9-14(20-5-3-19(2)4-6-20)18-13-8-11(16)10(15)7-12(13)17-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 6,7-dichloro-2-methyl-3-(4-methylpiperazin-1-yl)quinoxaline?
6,7-dichloro-2-methyl-3-(4-methylpiperazin-1-yl)quinoxaline has a molecular weight of 311.22 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-methyl-3-(4-methylpiperazin-1-yl)quinoxaline is sourced from PubChem (CID 24854635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).