7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one

C17H18N4O2 — CID 59587728

IUPAC7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)c2cccn23)CC1
InChIInChI=1S/C17H18N4O2/c1-19-7-9-20(10-8-19)17(23)12-4-5-14-13(11-12)18-16(22)15-3-2-6-21(14)15/h2-6,11H,7-10H2,1H3,(H,18,22)
InChIKeyLWJRZKQDXWFYTR-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.17
Rot. Bonds1

About 7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one

7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 59587728) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID59587728
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)c2cccn23)CC1
InChIInChI=1S/C17H18N4O2/c1-19-7-9-20(10-8-19)17(23)12-4-5-14-13(11-12)18-16(22)15-3-2-6-21(14)15/h2-6,11H,7-10H2,1H3,(H,18,22)
InChIKeyLWJRZKQDXWFYTR-UHFFFAOYSA-N
XLogP1.17
TPSA60.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one (CID 59587728) is 7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one is CN1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)c2cccn23)CC1.
What is the InChIKey of 7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is LWJRZKQDXWFYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-19-7-9-20(10-8-19)17(23)12-4-5-14-13(11-12)18-16(22)15-3-2-6-21(14)15/h2-6,11H,7-10H2,1H3,(H,18,22).
What are the key properties of 7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 310.36 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 59587728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).