3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one

C16H11ClN4O — CID 171351342

IUPAC3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2c(Cl)ncn2c2ccccc2n1Cc1ccccn1
InChIInChI=1S/C16H11ClN4O/c17-15-14-16(22)20(9-11-5-3-4-8-18-11)12-6-1-2-7-13(12)21(14)10-19-15/h1-8,10H,9H2
InChIKeyZLLRNHZUVNVZMO-UHFFFAOYSA-N
MW310.74 g/mol
LogP2.75
Rot. Bonds2

About 3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one

3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 171351342) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is 3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID171351342
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC Name3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2c(Cl)ncn2c2ccccc2n1Cc1ccccn1
InChIInChI=1S/C16H11ClN4O/c17-15-14-16(22)20(9-11-5-3-4-8-18-11)12-6-1-2-7-13(12)21(14)10-19-15/h1-8,10H,9H2
InChIKeyZLLRNHZUVNVZMO-UHFFFAOYSA-N
XLogP2.75
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (CID 171351342) is 3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is O=c1c2c(Cl)ncn2c2ccccc2n1Cc1ccccn1.
What is the InChIKey of 3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is ZLLRNHZUVNVZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c17-15-14-16(22)20(9-11-5-3-4-8-18-11)12-6-1-2-7-13(12)21(14)10-19-15/h1-8,10H,9H2.
What are the key properties of 3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 310.74 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 171351342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).