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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Related Compounds

4H-Imidazo(4,5-c)quinolin-4-one, 1,5-dihydro-5-butyl-1-methyl-
CID 3077017
[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CID 3243760
KF 18280
CID 3071941
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-ethyl-5-phenyl-
CID 3071939
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-methyl-5-phenyl-
CID 3071959
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-5-phenyl-3-propyl-
CID 3071969
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-(2-methylpropyl)-5-phenyl-
CID 3071971
(3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone
CID 10665138
6-(Benzimidazol-1-yl)-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CID 25217064
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
CID 155669602
(1-Tert-butylbenzimidazol-5-yl)-piperidin-1-ylmethanone
CID 71307836
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-(1-methylethyl)-5-phenyl-
CID 3071940

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).