3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

C19H17N3O — CID 10542471

IUPAC3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)n1c(=O)c2c(-c3ccccc3)ncn2c2ccccc21
InChIInChI=1S/C19H17N3O/c1-13(2)22-16-11-7-6-10-15(16)21-12-20-17(18(21)19(22)23)14-8-4-3-5-9-14/h3-13H,1-2H3
InChIKeyPMLPKUMXVXSESD-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.90
Rot. Bonds2

About 3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (PubChem CID 10542471) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
PubChem CID10542471
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)n1c(=O)c2c(-c3ccccc3)ncn2c2ccccc21
InChIInChI=1S/C19H17N3O/c1-13(2)22-16-11-7-6-10-15(16)21-12-20-17(18(21)19(22)23)14-8-4-3-5-9-14/h3-13H,1-2H3
InChIKeyPMLPKUMXVXSESD-UHFFFAOYSA-N
XLogP3.90
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (CID 10542471) is 3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is CC(C)n1c(=O)c2c(-c3ccccc3)ncn2c2ccccc21.
What is the InChIKey of 3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The InChIKey is PMLPKUMXVXSESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13(2)22-16-11-7-6-10-15(16)21-12-20-17(18(21)19(22)23)14-8-4-3-5-9-14/h3-13H,1-2H3.
What are the key properties of 3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one has a molecular weight of 303.37 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10542471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).