4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-9-methylpyrrolo[1,2-a]quinoxaline

C20H22N6 — CID 44541941

IUPAC4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-9-methylpyrrolo[1,2-a]quinoxaline
SMILESCc1cccc2nc(N3CCN(Cc4cnc[nH]4)CC3)c3cccn3c12
InChIInChI=1S/C20H22N6/c1-15-4-2-5-17-19(15)26-7-3-6-18(26)20(23-17)25-10-8-24(9-11-25)13-16-12-21-14-22-16/h2-7,12,14H,8-11,13H2,1H3,(H,21,22)
InChIKeyUXCYHZPVNXGIRJ-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.84
Rot. Bonds3

About 4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-9-methylpyrrolo[1,2-a]quinoxaline

4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-9-methylpyrrolo[1,2-a]quinoxaline (PubChem CID 44541941) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-9-methylpyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-9-methylpyrrolo[1,2-a]quinoxaline
PubChem CID44541941
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-9-methylpyrrolo[1,2-a]quinoxaline
SMILESCc1cccc2nc(N3CCN(Cc4cnc[nH]4)CC3)c3cccn3c12
InChIInChI=1S/C20H22N6/c1-15-4-2-5-17-19(15)26-7-3-6-18(26)20(23-17)25-10-8-24(9-11-25)13-16-12-21-14-22-16/h2-7,12,14H,8-11,13H2,1H3,(H,21,22)
InChIKeyUXCYHZPVNXGIRJ-UHFFFAOYSA-N
XLogP2.84
TPSA52.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-9-methylpyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-9-methylpyrrolo[1,2-a]quinoxaline (CID 44541941) is 4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-9-methylpyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-9-methylpyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-9-methylpyrrolo[1,2-a]quinoxaline is Cc1cccc2nc(N3CCN(Cc4cnc[nH]4)CC3)c3cccn3c12.
What is the InChIKey of 4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-9-methylpyrrolo[1,2-a]quinoxaline?
The InChIKey is UXCYHZPVNXGIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-15-4-2-5-17-19(15)26-7-3-6-18(26)20(23-17)25-10-8-24(9-11-25)13-16-12-21-14-22-16/h2-7,12,14H,8-11,13H2,1H3,(H,21,22).
What are the key properties of 4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-9-methylpyrrolo[1,2-a]quinoxaline?
4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-9-methylpyrrolo[1,2-a]quinoxaline has a molecular weight of 346.44 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-9-methylpyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 44541941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).