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

C17H19N3O — CID 25156002

IUPAC7-(piperidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(CN3CCCCC3)ccc2n2cccc12
InChIInChI=1S/C17H19N3O/c21-17-16-5-4-10-20(16)15-7-6-13(11-14(15)18-17)12-19-8-2-1-3-9-19/h4-7,10-11H,1-3,8-9,12H2,(H,18,21)
InChIKeyRTSVNZKUVGQOHS-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.77
Rot. Bonds2

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

7-(piperidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 25156002) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 7-(piperidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(piperidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID25156002
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name7-(piperidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(CN3CCCCC3)ccc2n2cccc12
InChIInChI=1S/C17H19N3O/c21-17-16-5-4-10-20(16)15-7-6-13(11-14(15)18-17)12-19-8-2-1-3-9-19/h4-7,10-11H,1-3,8-9,12H2,(H,18,21)
InChIKeyRTSVNZKUVGQOHS-UHFFFAOYSA-N
XLogP2.77
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(piperidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 7-(piperidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one (CID 25156002) is 7-(piperidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 7-(piperidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 7-(piperidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one is O=c1[nH]c2cc(CN3CCCCC3)ccc2n2cccc12.
What is the InChIKey of 7-(piperidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is RTSVNZKUVGQOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17-16-5-4-10-20(16)15-7-6-13(11-14(15)18-17)12-19-8-2-1-3-9-19/h4-7,10-11H,1-3,8-9,12H2,(H,18,21).
What are the key properties of 7-(piperidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
7-(piperidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 281.36 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 25156002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).