8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid

C17H17N3O4 — CID 58574974

IUPAC8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid
SMILESCc1cc2c(cc1C(=O)O)[nH]c(=O)c1cnc(C3CCCOC3)n12
InChIInChI=1S/C17H17N3O4/c1-9-5-13-12(6-11(9)17(22)23)19-16(21)14-7-18-15(20(13)14)10-3-2-4-24-8-10/h5-7,10H,2-4,8H2,1H3,(H,19,21)(H,22,23)
InChIKeyLNQKDZULTTZLDP-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.08
Rot. Bonds2

About 8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid

8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid (PubChem CID 58574974) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid.

Molecular Properties

Compound Name8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid
PubChem CID58574974
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid
SMILESCc1cc2c(cc1C(=O)O)[nH]c(=O)c1cnc(C3CCCOC3)n12
InChIInChI=1S/C17H17N3O4/c1-9-5-13-12(6-11(9)17(22)23)19-16(21)14-7-18-15(20(13)14)10-3-2-4-24-8-10/h5-7,10H,2-4,8H2,1H3,(H,19,21)(H,22,23)
InChIKeyLNQKDZULTTZLDP-UHFFFAOYSA-N
XLogP2.08
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid?
The IUPAC name of 8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid (CID 58574974) is 8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid.
What is the SMILES notation for 8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid?
The canonical SMILES for 8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid is Cc1cc2c(cc1C(=O)O)[nH]c(=O)c1cnc(C3CCCOC3)n12.
What is the InChIKey of 8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid?
The InChIKey is LNQKDZULTTZLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-9-5-13-12(6-11(9)17(22)23)19-16(21)14-7-18-15(20(13)14)10-3-2-4-24-8-10/h5-7,10H,2-4,8H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid?
8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid has a molecular weight of 327.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid is sourced from PubChem (CID 58574974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).