[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone

C23H28N8O — CID 122341062

IUPAC[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESCc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3cnc4ccccc4n3)CC2)n1
InChIInChI=1S/C23H28N8O/c1-17-25-21(29-9-7-28(2)8-10-29)15-22(26-17)30-11-13-31(14-12-30)23(32)20-16-24-18-5-3-4-6-19(18)27-20/h3-6,15-16H,7-14H2,1-2H3
InChIKeyICUHMHSOAAUKKF-UHFFFAOYSA-N
MW432.53 g/mol
LogP1.44
Rot. Bonds3

About [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone

[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 122341062) has the molecular formula C23H28N8O and a molecular weight of 432.53 g/mol. Its IUPAC name is [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID122341062
Molecular FormulaC23H28N8O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC Name[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESCc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3cnc4ccccc4n3)CC2)n1
InChIInChI=1S/C23H28N8O/c1-17-25-21(29-9-7-28(2)8-10-29)15-22(26-17)30-11-13-31(14-12-30)23(32)20-16-24-18-5-3-4-6-19(18)27-20/h3-6,15-16H,7-14H2,1-2H3
InChIKeyICUHMHSOAAUKKF-UHFFFAOYSA-N
XLogP1.44
TPSA81.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 91631599
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 122340982
[2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367040
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109366887
[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 122341994
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122341014
(2-iodophenyl)-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122341241
(4-methylpiperazin-1-yl)-[2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109367054
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 122348391
[2-(difluoromethylsulfanyl)phenyl]-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122341087
[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 18192931
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109366897

Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone (CID 122341062) is [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone is Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3cnc4ccccc4n3)CC2)n1.
What is the InChIKey of [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is ICUHMHSOAAUKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O/c1-17-25-21(29-9-7-28(2)8-10-29)15-22(26-17)30-11-13-31(14-12-30)23(32)20-16-24-18-5-3-4-6-19(18)27-20/h3-6,15-16H,7-14H2,1-2H3.
What are the key properties of [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 432.53 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 122341062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).