3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one

C24H28N4O2 — CID 158009297

IUPAC3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one
SMILESCCc1nc2cc(C)c(C)cc2[nH]c1=O.Cc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/2C12H14N2O/c1-9-10(2)13(3)14(12(9)15)11-7-5-4-6-8-11;1-4-9-12(15)14-11-6-8(3)7(2)5-10(11)13-9/h4-8H,1-3H3;5-6H,4H2,1-3H3,(H,14,15)
InChIKeyFERKYVUVZVRPBJ-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.90
Rot. Bonds2

About 3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one

3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one (PubChem CID 158009297) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one
PubChem CID158009297
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one
SMILESCCc1nc2cc(C)c(C)cc2[nH]c1=O.Cc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/2C12H14N2O/c1-9-10(2)13(3)14(12(9)15)11-7-5-4-6-8-11;1-4-9-12(15)14-11-6-8(3)7(2)5-10(11)13-9/h4-8H,1-3H3;5-6H,4H2,1-3H3,(H,14,15)
InChIKeyFERKYVUVZVRPBJ-UHFFFAOYSA-N
XLogP3.90
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one with MolForge

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Related Compounds

3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one
CID 46390383
3-[(2-bromophenyl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one
CID 5053613
3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1H-quinoxalin-2-one
CID 102219110
N-[(Z)-benzylideneamino]-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)acetamide
CID 5410088
3-ethyl-6-[(4-oxopiperidin-1-yl)-phenylmethyl]-1H-quinoxalin-2-one
CID 59596213
1,5-dimethyl-4-(octylamino)-2-phenylpyrazol-3-one
CID 110823818
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2394627
1,5-dimethyl-2-phenyl-4-[1,2,2-tris(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethyl]pyrazol-3-one
CID 3366535
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 136684546
7-(bromomethyl)-3-ethyl-5-methyl-1H-quinoxalin-2-one
CID 169098846
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 108792024
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(hydroxy-methylidene-oxo-λ6-sulfanyl)-3H-benzimidazole-5-sulfonamide
CID 157161383

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one (CID 158009297) is 3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one is CCc1nc2cc(C)c(C)cc2[nH]c1=O.Cc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one?
The InChIKey is FERKYVUVZVRPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H14N2O/c1-9-10(2)13(3)14(12(9)15)11-7-5-4-6-8-11;1-4-9-12(15)14-11-6-8(3)7(2)5-10(11)13-9/h4-8H,1-3H3;5-6H,4H2,1-3H3,(H,14,15).
What are the key properties of 3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one?
3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one has a molecular weight of 404.51 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 158009297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).