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

C15H16N4O — CID 25156561

IUPAC7-(pyrrolidin-1-ylmethyl)-5H-imidazo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(CN3CCCC3)ccc2n2ccnc12
InChIInChI=1S/C15H16N4O/c20-15-14-16-5-8-19(14)13-4-3-11(9-12(13)17-15)10-18-6-1-2-7-18/h3-5,8-9H,1-2,6-7,10H2,(H,17,20)
InChIKeyPCURWXDHDRZERL-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.77
Rot. Bonds2

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

7-(pyrrolidin-1-ylmethyl)-5H-imidazo[1,2-a]quinoxalin-4-one (PubChem CID 25156561) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 7-(pyrrolidin-1-ylmethyl)-5H-imidazo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(pyrrolidin-1-ylmethyl)-5H-imidazo[1,2-a]quinoxalin-4-one
PubChem CID25156561
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name7-(pyrrolidin-1-ylmethyl)-5H-imidazo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(CN3CCCC3)ccc2n2ccnc12
InChIInChI=1S/C15H16N4O/c20-15-14-16-5-8-19(14)13-4-3-11(9-12(13)17-15)10-18-6-1-2-7-18/h3-5,8-9H,1-2,6-7,10H2,(H,17,20)
InChIKeyPCURWXDHDRZERL-UHFFFAOYSA-N
XLogP1.77
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(pyrrolidin-1-ylmethyl)-5H-imidazo[1,2-a]quinoxalin-4-one?
The IUPAC name of 7-(pyrrolidin-1-ylmethyl)-5H-imidazo[1,2-a]quinoxalin-4-one (CID 25156561) is 7-(pyrrolidin-1-ylmethyl)-5H-imidazo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 7-(pyrrolidin-1-ylmethyl)-5H-imidazo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 7-(pyrrolidin-1-ylmethyl)-5H-imidazo[1,2-a]quinoxalin-4-one is O=c1[nH]c2cc(CN3CCCC3)ccc2n2ccnc12.
What is the InChIKey of 7-(pyrrolidin-1-ylmethyl)-5H-imidazo[1,2-a]quinoxalin-4-one?
The InChIKey is PCURWXDHDRZERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c20-15-14-16-5-8-19(14)13-4-3-11(9-12(13)17-15)10-18-6-1-2-7-18/h3-5,8-9H,1-2,6-7,10H2,(H,17,20).
What are the key properties of 7-(pyrrolidin-1-ylmethyl)-5H-imidazo[1,2-a]quinoxalin-4-one?
7-(pyrrolidin-1-ylmethyl)-5H-imidazo[1,2-a]quinoxalin-4-one has a molecular weight of 268.32 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyrrolidin-1-ylmethyl)-5H-imidazo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 25156561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).