ethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate

C24H24N4O6 — CID 123754273

IUPACethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)ccc2[nH]c1=O.CCOC(=O)c1nc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/2C12H12N2O3/c1-3-17-12(16)10-11(15)14-8-5-4-7(2)6-9(8)13-10;1-3-17-12(16)10-11(15)14-9-6-7(2)4-5-8(9)13-10/h2*4-6H,3H2,1-2H3,(H,14,15)
InChIKeyYJCCDSYIJUKOJJ-UHFFFAOYSA-N
MW464.48 g/mol
LogP2.82
Rot. Bonds4

About ethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate

ethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate (PubChem CID 123754273) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is ethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate
PubChem CID123754273
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC Nameethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)ccc2[nH]c1=O.CCOC(=O)c1nc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/2C12H12N2O3/c1-3-17-12(16)10-11(15)14-8-5-4-7(2)6-9(8)13-10;1-3-17-12(16)10-11(15)14-9-6-7(2)4-5-8(9)13-10/h2*4-6H,3H2,1-2H3,(H,14,15)
InChIKeyYJCCDSYIJUKOJJ-UHFFFAOYSA-N
XLogP2.82
TPSA144.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate
CID 18008890
ethyl 7-bromo-3-oxo-4H-quinoxaline-2-carboxylate
CID 18369213
ethyl 3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxylate
CID 10062508
ethyl 7-bromo-6-nitro-3-oxo-4H-quinoxaline-2-carboxylate
CID 18369157
ethyl 3-oxo-4H-furo[2,3-b]pyrazine-2-carboxylate
CID 69219546
butane-2,3-dione;tris(carbon dioxide);3,6-dimethyl-1H-quinoxalin-2-one;3,7-dimethyl-1H-quinoxalin-2-one;4-methylbenzene-1,2-diamine
CID 176536369
ethyl 7-methoxy-8-nitro-3-oxo-4H-quinoxaline-2-carboxylate
CID 23463841
3-(aminomethyl)-7-methyl-1H-quinoxalin-2-one
CID 117274834
potassium;(2-carboxy-3-oxo-4H-quinoxalin-6-yl)methanesulfinate;(2-ethoxycarbonyl-3-oxo-4H-quinoxalin-6-yl)methanesulfinate;ethyl 6-iodo-3-oxo-4H-quinoxaline-2-carboxylate;hydroxyazanide
CID 158445740
1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane
CID 168980349
ethyl 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)butanoate
CID 79474874
ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate
CID 82562533

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate?
The IUPAC name of ethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate (CID 123754273) is ethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate is CCOC(=O)c1nc2cc(C)ccc2[nH]c1=O.CCOC(=O)c1nc2ccc(C)cc2[nH]c1=O.
What is the InChIKey of ethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate?
The InChIKey is YJCCDSYIJUKOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12N2O3/c1-3-17-12(16)10-11(15)14-8-5-4-7(2)6-9(8)13-10;1-3-17-12(16)10-11(15)14-9-6-7(2)4-5-8(9)13-10/h2*4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate?
ethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate has a molecular weight of 464.48 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate is sourced from PubChem (CID 123754273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).