4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxalin-7-ol

C16H18N4O — CID 10826756

IUPAC4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxalin-7-ol
SMILESCN1CCN(c2nc3cc(O)ccc3n3cccc23)CC1
InChIInChI=1S/C16H18N4O/c1-18-7-9-19(10-8-18)16-15-3-2-6-20(15)14-5-4-12(21)11-13(14)17-16/h2-6,11,21H,7-10H2,1H3
InChIKeyPDGZHMCTFNGBMB-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.94
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxalin-7-ol

4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxalin-7-ol (PubChem CID 10826756) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxalin-7-ol.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxalin-7-ol
PubChem CID10826756
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxalin-7-ol
SMILESCN1CCN(c2nc3cc(O)ccc3n3cccc23)CC1
InChIInChI=1S/C16H18N4O/c1-18-7-9-19(10-8-18)16-15-3-2-6-20(15)14-5-4-12(21)11-13(14)17-16/h2-6,11,21H,7-10H2,1H3
InChIKeyPDGZHMCTFNGBMB-UHFFFAOYSA-N
XLogP1.94
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxalin-7-ol?
The IUPAC name of 4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxalin-7-ol (CID 10826756) is 4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxalin-7-ol.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxalin-7-ol?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxalin-7-ol is CN1CCN(c2nc3cc(O)ccc3n3cccc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxalin-7-ol?
The InChIKey is PDGZHMCTFNGBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-18-7-9-19(10-8-18)16-15-3-2-6-20(15)14-5-4-12(21)11-13(14)17-16/h2-6,11,21H,7-10H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxalin-7-ol?
4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxalin-7-ol has a molecular weight of 282.35 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxalin-7-ol is sourced from PubChem (CID 10826756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).