6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one

C23H23N5O5 — CID 58575395

IUPAC6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
SMILESCc1cc2c(cc1C(=O)N1CCc3c(o[nH]c3=O)C1)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C23H23N5O5/c1-12-8-17-16(9-15(12)23(31)27-5-2-14-19(11-27)33-26-21(14)29)25-22(30)18-10-24-20(28(17)18)13-3-6-32-7-4-13/h8-10,13H,2-7,11H2,1H3,(H,25,30)(H,26,29)
InChIKeyCBIIECCGUJJFEZ-UHFFFAOYSA-N
MW449.47 g/mol
LogP1.86
Rot. Bonds2

About 6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one

6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one (PubChem CID 58575395) has the molecular formula C23H23N5O5 and a molecular weight of 449.47 g/mol. Its IUPAC name is 6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
PubChem CID58575395
Molecular FormulaC23H23N5O5
Molecular Weight449.47 g/mol
Exact Mass449.17
IUPAC Name6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
SMILESCc1cc2c(cc1C(=O)N1CCc3c(o[nH]c3=O)C1)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C23H23N5O5/c1-12-8-17-16(9-15(12)23(31)27-5-2-14-19(11-27)33-26-21(14)29)25-22(30)18-10-24-20(28(17)18)13-3-6-32-7-4-13/h8-10,13H,2-7,11H2,1H3,(H,25,30)(H,26,29)
InChIKeyCBIIECCGUJJFEZ-UHFFFAOYSA-N
XLogP1.86
TPSA125.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one?
The IUPAC name of 6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one (CID 58575395) is 6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one.
What is the SMILES notation for 6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one?
The canonical SMILES for 6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one is Cc1cc2c(cc1C(=O)N1CCc3c(o[nH]c3=O)C1)[nH]c(=O)c1cnc(C3CCOCC3)n12.
What is the InChIKey of 6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one?
The InChIKey is CBIIECCGUJJFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O5/c1-12-8-17-16(9-15(12)23(31)27-5-2-14-19(11-27)33-26-21(14)29)25-22(30)18-10-24-20(28(17)18)13-3-6-32-7-4-13/h8-10,13H,2-7,11H2,1H3,(H,25,30)(H,26,29).
What are the key properties of 6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one?
6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one has a molecular weight of 449.47 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one is sourced from PubChem (CID 58575395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).