9-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline

C17H20N4 — CID 10423801

IUPAC9-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESCc1cccc2nc(N3CCN(C)CC3)c3cccn3c12
InChIInChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3
InChIKeyFPAYIRCICWYDAX-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.55
Rot. Bonds1

About 9-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline

9-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline (PubChem CID 10423801) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 9-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name9-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
PubChem CID10423801
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name9-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESCc1cccc2nc(N3CCN(C)CC3)c3cccn3c12
InChIInChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3
InChIKeyFPAYIRCICWYDAX-UHFFFAOYSA-N
XLogP2.55
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 9-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline (CID 10423801) is 9-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 9-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 9-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline is Cc1cccc2nc(N3CCN(C)CC3)c3cccn3c12.
What is the InChIKey of 9-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The InChIKey is FPAYIRCICWYDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3.
What are the key properties of 9-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
9-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline has a molecular weight of 280.38 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10423801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).