3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one

C19H17N5O3 — CID 2714477

IUPAC3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C19H17N5O3/c1-19(2)18(27)20-14-9-5-6-10-15(14)24(19)16(25)11-23-17(26)12-7-3-4-8-13(12)21-22-23/h3-10H,11H2,1-2H3,(H,20,27)
InChIKeyZDGHAVFBMRQGSE-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.56
Rot. Bonds2

About 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one

3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one (PubChem CID 2714477) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
PubChem CID2714477
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C19H17N5O3/c1-19(2)18(27)20-14-9-5-6-10-15(14)24(19)16(25)11-23-17(26)12-7-3-4-8-13(12)21-22-23/h3-10H,11H2,1-2H3,(H,20,27)
InChIKeyZDGHAVFBMRQGSE-UHFFFAOYSA-N
XLogP1.56
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one with MolForge

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Related Compounds

3,3-dimethyl-4-(2-quinazolin-4-ylsulfanylacetyl)-1H-quinoxalin-2-one
CID 4826762
3-(2-oxo-2-phenothiazin-10-ylethyl)-1,2,3-benzotriazin-4-one
CID 38934577
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 30896765
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate
CID 2547174
4-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 40881392
3,3-dimethyl-4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]-1H-quinoxalin-2-one
CID 7489706
3-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 8006440
3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 7583588
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 4910274
3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8903306
3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8725457

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one (CID 2714477) is 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one is CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1nnc2ccccc2c1=O.
What is the InChIKey of 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one?
The InChIKey is ZDGHAVFBMRQGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-19(2)18(27)20-14-9-5-6-10-15(14)24(19)16(25)11-23-17(26)12-7-3-4-8-13(12)21-22-23/h3-10H,11H2,1-2H3,(H,20,27).
What are the key properties of 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one?
3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one has a molecular weight of 363.38 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 2714477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).