3-(4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxalin-8-yl)propanoic acid

C19H15N3O3 — CID 68705358

IUPAC3-(4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxalin-8-yl)propanoic acid
SMILESO=C(O)CCc1ccc2[nH]c(=O)c3cnc(-c4ccccc4)n3c2c1
InChIInChI=1S/C19H15N3O3/c23-17(24)9-7-12-6-8-14-15(10-12)22-16(19(25)21-14)11-20-18(22)13-4-2-1-3-5-13/h1-6,8,10-11H,7,9H2,(H,21,25)(H,23,24)
InChIKeyOBWWJTXEWFYGGH-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.86
Rot. Bonds4

About 3-(4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxalin-8-yl)propanoic acid

3-(4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxalin-8-yl)propanoic acid (PubChem CID 68705358) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-(4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxalin-8-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxalin-8-yl)propanoic acid
PubChem CID68705358
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name3-(4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxalin-8-yl)propanoic acid
SMILESO=C(O)CCc1ccc2[nH]c(=O)c3cnc(-c4ccccc4)n3c2c1
InChIInChI=1S/C19H15N3O3/c23-17(24)9-7-12-6-8-14-15(10-12)22-16(19(25)21-14)11-20-18(22)13-4-2-1-3-5-13/h1-6,8,10-11H,7,9H2,(H,21,25)(H,23,24)
InChIKeyOBWWJTXEWFYGGH-UHFFFAOYSA-N
XLogP2.86
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxalin-8-yl)propanoic acid?
The IUPAC name of 3-(4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxalin-8-yl)propanoic acid (CID 68705358) is 3-(4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxalin-8-yl)propanoic acid.
What is the SMILES notation for 3-(4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxalin-8-yl)propanoic acid?
The canonical SMILES for 3-(4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxalin-8-yl)propanoic acid is O=C(O)CCc1ccc2[nH]c(=O)c3cnc(-c4ccccc4)n3c2c1.
What is the InChIKey of 3-(4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxalin-8-yl)propanoic acid?
The InChIKey is OBWWJTXEWFYGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-17(24)9-7-12-6-8-14-15(10-12)22-16(19(25)21-14)11-20-18(22)13-4-2-1-3-5-13/h1-6,8,10-11H,7,9H2,(H,21,25)(H,23,24).
What are the key properties of 3-(4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxalin-8-yl)propanoic acid?
3-(4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxalin-8-yl)propanoic acid has a molecular weight of 333.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-1-phenyl-5H-imidazo[1,5-a]quinoxalin-8-yl)propanoic acid is sourced from PubChem (CID 68705358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).