2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline

C20H23N7 — CID 154883204

IUPAC2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline
SMILESc1ccc2nc(N3CCN(c4nccc(N5CCCC5)n4)CC3)cnc2c1
InChIInChI=1S/C20H23N7/c1-2-6-17-16(5-1)22-15-19(23-17)26-11-13-27(14-12-26)20-21-8-7-18(24-20)25-9-3-4-10-25/h1-2,5-8,15H,3-4,9-14H2
InChIKeyANGBTYCHXHGIDL-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.35
Rot. Bonds3

About 2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline

2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline (PubChem CID 154883204) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline
PubChem CID154883204
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Name2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline
SMILESc1ccc2nc(N3CCN(c4nccc(N5CCCC5)n4)CC3)cnc2c1
InChIInChI=1S/C20H23N7/c1-2-6-17-16(5-1)22-15-19(23-17)26-11-13-27(14-12-26)20-21-8-7-18(24-20)25-9-3-4-10-25/h1-2,5-8,15H,3-4,9-14H2
InChIKeyANGBTYCHXHGIDL-UHFFFAOYSA-N
XLogP2.35
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline
CID 163352467
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
1-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112888441
2-(4-hydroxypiperazin-1-yl)quinoxaline
CID 46878257
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine
CID 112884490
4-[4-(2-fluorophenyl)piperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 112884673
2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 165432779
1-quinoxalin-2-ylazepane-4-carboxylic acid
CID 139695402
3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline
CID 70165871
4-quinoxalin-2-yl-1,4-oxazepane
CID 134160732
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline?
The IUPAC name of 2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline (CID 154883204) is 2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline?
The canonical SMILES for 2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline is c1ccc2nc(N3CCN(c4nccc(N5CCCC5)n4)CC3)cnc2c1.
What is the InChIKey of 2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline?
The InChIKey is ANGBTYCHXHGIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-2-6-17-16(5-1)22-15-19(23-17)26-11-13-27(14-12-26)20-21-8-7-18(24-20)25-9-3-4-10-25/h1-2,5-8,15H,3-4,9-14H2.
What are the key properties of 2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline?
2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline has a molecular weight of 361.45 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline is sourced from PubChem (CID 154883204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).