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

C16H17N3O — CID 25156282

IUPAC8-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccc(CN3CCCC3)cc2n2cccc12
InChIInChI=1S/C16H17N3O/c20-16-14-4-3-9-19(14)15-10-12(5-6-13(15)17-16)11-18-7-1-2-8-18/h3-6,9-10H,1-2,7-8,11H2,(H,17,20)
InChIKeyPCWMEZNUFYUIRN-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.38
Rot. Bonds2

About 8-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one

8-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 25156282) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 8-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID25156282
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name8-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccc(CN3CCCC3)cc2n2cccc12
InChIInChI=1S/C16H17N3O/c20-16-14-4-3-9-19(14)15-10-12(5-6-13(15)17-16)11-18-7-1-2-8-18/h3-6,9-10H,1-2,7-8,11H2,(H,17,20)
InChIKeyPCWMEZNUFYUIRN-UHFFFAOYSA-N
XLogP2.38
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 8-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one (CID 25156282) is 8-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 8-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 8-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one is O=c1[nH]c2ccc(CN3CCCC3)cc2n2cccc12.
What is the InChIKey of 8-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is PCWMEZNUFYUIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16-14-4-3-9-19(14)15-10-12(5-6-13(15)17-16)11-18-7-1-2-8-18/h3-6,9-10H,1-2,7-8,11H2,(H,17,20).
What are the key properties of 8-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
8-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 267.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 25156282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).