2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline

C21H20N6 — CID 108776804

IUPAC2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline
SMILESCc1nc2ccccc2nc1N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C21H20N6/c1-15-21(25-19-9-5-4-8-18(19)23-15)27-12-10-26(11-13-27)20-14-22-16-6-2-3-7-17(16)24-20/h2-9,14H,10-13H2,1H3
InChIKeyCYTIAMPYQATCJX-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.21
Rot. Bonds2

About 2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline

2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline (PubChem CID 108776804) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline.

Molecular Properties

Compound Name2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline
PubChem CID108776804
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC Name2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline
SMILESCc1nc2ccccc2nc1N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C21H20N6/c1-15-21(25-19-9-5-4-8-18(19)23-15)27-12-10-26(11-13-27)20-14-22-16-6-2-3-7-17(16)24-20/h2-9,14H,10-13H2,1H3
InChIKeyCYTIAMPYQATCJX-UHFFFAOYSA-N
XLogP3.21
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-hydroxypiperazin-1-yl)quinoxaline
CID 46878257
N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155801027
2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline
CID 139027361
2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
CID 59598901
2-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxaline
CID 33370380
2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108763902
4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 154883227
4-methyl-9-quinoxalin-2-yl-1-oxa-9-azaspiro[5.5]undec-4-ene
CID 137343373
2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline
CID 133465607
2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline
CID 155942142
4-quinoxalin-2-yl-1,4-oxazepane
CID 134160732
N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 108741263

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline?
The IUPAC name of 2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline (CID 108776804) is 2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline.
What is the SMILES notation for 2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline?
The canonical SMILES for 2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline is Cc1nc2ccccc2nc1N1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of 2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline?
The InChIKey is CYTIAMPYQATCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6/c1-15-21(25-19-9-5-4-8-18(19)23-15)27-12-10-26(11-13-27)20-14-22-16-6-2-3-7-17(16)24-20/h2-9,14H,10-13H2,1H3.
What are the key properties of 2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline?
2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline has a molecular weight of 356.43 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline is sourced from PubChem (CID 108776804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).