methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate

C11H12N2O3 — CID 91671836

IUPACmethyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N(C)C(=O)CN2
InChIInChI=1S/C11H12N2O3/c1-13-9-5-7(11(15)16-2)3-4-8(9)12-6-10(13)14/h3-5,12H,6H2,1-2H3
InChIKeySCMHEYWTTXHKTR-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.86
Rot. Bonds1

About methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate

methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate (PubChem CID 91671836) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate
PubChem CID91671836
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N(C)C(=O)CN2
InChIInChI=1S/C11H12N2O3/c1-13-9-5-7(11(15)16-2)3-4-8(9)12-6-10(13)14/h3-5,12H,6H2,1-2H3
InChIKeySCMHEYWTTXHKTR-UHFFFAOYSA-N
XLogP0.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 156503281
methyl 4-ethyl-3,3-dimethyl-1,2-dihydroquinoxaline-6-carboxylate
CID 115096829
methyl 4-ethyl-2-methyl-2,3-dihydro-1H-quinoxaline-6-carboxylate
CID 115096188
methyl 1-propan-2-yl-2,3-dihydroindazole-5-carboxylate
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methyl 4-ethyl-1,1,3-trioxo-1λ6,4-benzothiazine-6-carboxylate
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methyl 1,3,3-trimethyl-2-oxoindole-5-carboxylate
CID 52911264
methyl 1,2-dihydroquinoline-6-carboxylate
CID 141126799
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
methyl 3-methyl-1,1-dioxo-2H-1,3-benzothiazole-5-carboxylate
CID 19355027
methyl 3-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-7-carboxylate
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methyl 3-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxylate
CID 115098763
methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate
CID 110763913

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate?
The IUPAC name of methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate (CID 91671836) is methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate?
The canonical SMILES for methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate is COC(=O)c1ccc2c(c1)N(C)C(=O)CN2.
What is the InChIKey of methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate?
The InChIKey is SCMHEYWTTXHKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-13-9-5-7(11(15)16-2)3-4-8(9)12-6-10(13)14/h3-5,12H,6H2,1-2H3.
What are the key properties of methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate?
methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate is sourced from PubChem (CID 91671836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).