4-methyl-7-[(4-oxoimidazo[1,5-a]quinoxalin-5-yl)methyl]-1,4-benzoxazin-3-one

C20H16N4O3 — CID 171348962

IUPAC4-methyl-7-[(4-oxoimidazo[1,5-a]quinoxalin-5-yl)methyl]-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(Cn3c(=O)c4cncn4c4ccccc43)ccc21
InChIInChI=1S/C20H16N4O3/c1-22-16-7-6-13(8-18(16)27-11-19(22)25)10-23-14-4-2-3-5-15(14)24-12-21-9-17(24)20(23)26/h2-9,12H,10-11H2,1H3
InChIKeyYTBQKFMHGZGVAG-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.05
Rot. Bonds2

About 4-methyl-7-[(4-oxoimidazo[1,5-a]quinoxalin-5-yl)methyl]-1,4-benzoxazin-3-one

4-methyl-7-[(4-oxoimidazo[1,5-a]quinoxalin-5-yl)methyl]-1,4-benzoxazin-3-one (PubChem CID 171348962) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 4-methyl-7-[(4-oxoimidazo[1,5-a]quinoxalin-5-yl)methyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-methyl-7-[(4-oxoimidazo[1,5-a]quinoxalin-5-yl)methyl]-1,4-benzoxazin-3-one
PubChem CID171348962
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name4-methyl-7-[(4-oxoimidazo[1,5-a]quinoxalin-5-yl)methyl]-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(Cn3c(=O)c4cncn4c4ccccc43)ccc21
InChIInChI=1S/C20H16N4O3/c1-22-16-7-6-13(8-18(16)27-11-19(22)25)10-23-14-4-2-3-5-15(14)24-12-21-9-17(24)20(23)26/h2-9,12H,10-11H2,1H3
InChIKeyYTBQKFMHGZGVAG-UHFFFAOYSA-N
XLogP2.05
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[(4-oxoimidazo[1,5-a]quinoxalin-5-yl)methyl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-methyl-7-[(4-oxoimidazo[1,5-a]quinoxalin-5-yl)methyl]-1,4-benzoxazin-3-one (CID 171348962) is 4-methyl-7-[(4-oxoimidazo[1,5-a]quinoxalin-5-yl)methyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-methyl-7-[(4-oxoimidazo[1,5-a]quinoxalin-5-yl)methyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-methyl-7-[(4-oxoimidazo[1,5-a]quinoxalin-5-yl)methyl]-1,4-benzoxazin-3-one is CN1C(=O)COc2cc(Cn3c(=O)c4cncn4c4ccccc43)ccc21.
What is the InChIKey of 4-methyl-7-[(4-oxoimidazo[1,5-a]quinoxalin-5-yl)methyl]-1,4-benzoxazin-3-one?
The InChIKey is YTBQKFMHGZGVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-22-16-7-6-13(8-18(16)27-11-19(22)25)10-23-14-4-2-3-5-15(14)24-12-21-9-17(24)20(23)26/h2-9,12H,10-11H2,1H3.
What are the key properties of 4-methyl-7-[(4-oxoimidazo[1,5-a]quinoxalin-5-yl)methyl]-1,4-benzoxazin-3-one?
4-methyl-7-[(4-oxoimidazo[1,5-a]quinoxalin-5-yl)methyl]-1,4-benzoxazin-3-one has a molecular weight of 360.37 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[(4-oxoimidazo[1,5-a]quinoxalin-5-yl)methyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 171348962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).