6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline

C22H27ClN8 — CID 166601989

IUPAC6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline
SMILESCc1cc(N2CCN(c3cnc4cc(Cl)ccc4n3)CC2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H27ClN8/c1-16-13-20(27-22(25-16)31-7-5-28(2)6-8-31)29-9-11-30(12-10-29)21-15-24-19-14-17(23)3-4-18(19)26-21/h3-4,13-15H,5-12H2,1-2H3
InChIKeyNLXPLAJAIFKBHH-UHFFFAOYSA-N
MW438.97 g/mol
LogP2.46
Rot. Bonds3

About 6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline

6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline (PubChem CID 166601989) has the molecular formula C22H27ClN8 and a molecular weight of 438.97 g/mol. Its IUPAC name is 6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline
PubChem CID166601989
Molecular FormulaC22H27ClN8
Molecular Weight438.97 g/mol
Exact Mass438.20
IUPAC Name6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline
SMILESCc1cc(N2CCN(c3cnc4cc(Cl)ccc4n3)CC2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H27ClN8/c1-16-13-20(27-22(25-16)31-7-5-28(2)6-8-31)29-9-11-30(12-10-29)21-15-24-19-14-17(23)3-4-18(19)26-21/h3-4,13-15H,5-12H2,1-2H3
InChIKeyNLXPLAJAIFKBHH-UHFFFAOYSA-N
XLogP2.46
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.97
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline with MolForge

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Related Compounds

6-chloro-2-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline
CID 166601988
6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline
CID 171691657
6-chloro-2-piperidin-1-ylquinoxaline
CID 171705162
4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 154883227
5-methyl-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole
CID 165433029
4-methyl-6-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpyrimidine
CID 99980092
4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 166601129
2-(4-chlorophenyl)-1-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121032003
2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline
CID 155942142
6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline
CID 172893506
6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline
CID 171997685
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 27478059

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline?
The IUPAC name of 6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline (CID 166601989) is 6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline.
What is the SMILES notation for 6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline?
The canonical SMILES for 6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline is Cc1cc(N2CCN(c3cnc4cc(Cl)ccc4n3)CC2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline?
The InChIKey is NLXPLAJAIFKBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN8/c1-16-13-20(27-22(25-16)31-7-5-28(2)6-8-31)29-9-11-30(12-10-29)21-15-24-19-14-17(23)3-4-18(19)26-21/h3-4,13-15H,5-12H2,1-2H3.
What are the key properties of 6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline?
6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline has a molecular weight of 438.97 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline is sourced from PubChem (CID 166601989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).