7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one

C17H14N4O2 — CID 171356872

IUPAC7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCOc1ccc2c(c1)n(Cc1cccnc1)c(=O)c1cncn12
InChIInChI=1S/C17H14N4O2/c1-23-13-4-5-14-15(7-13)20(10-12-3-2-6-18-8-12)17(22)16-9-19-11-21(14)16/h2-9,11H,10H2,1H3
InChIKeyLFKVDZOBBXOFEW-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.10
Rot. Bonds3

About 7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one

7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 171356872) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID171356872
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCOc1ccc2c(c1)n(Cc1cccnc1)c(=O)c1cncn12
InChIInChI=1S/C17H14N4O2/c1-23-13-4-5-14-15(7-13)20(10-12-3-2-6-18-8-12)17(22)16-9-19-11-21(14)16/h2-9,11H,10H2,1H3
InChIKeyLFKVDZOBBXOFEW-UHFFFAOYSA-N
XLogP2.10
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (CID 171356872) is 7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is COc1ccc2c(c1)n(Cc1cccnc1)c(=O)c1cncn12.
What is the InChIKey of 7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is LFKVDZOBBXOFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-23-13-4-5-14-15(7-13)20(10-12-3-2-6-18-8-12)17(22)16-9-19-11-21(14)16/h2-9,11H,10H2,1H3.
What are the key properties of 7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 306.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 171356872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).