methyl 3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylate

C10H10N2O3 — CID 115095927

IUPACmethyl 3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylate
SMILESCOC(=O)c1cccc2c1NC(=O)CN2
InChIInChI=1S/C10H10N2O3/c1-15-10(14)6-3-2-4-7-9(6)12-8(13)5-11-7/h2-4,11H,5H2,1H3,(H,12,13)
InChIKeyPETHEYLHVZZUKS-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.84
Rot. Bonds1

About methyl 3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylate

methyl 3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylate (PubChem CID 115095927) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylate
PubChem CID115095927
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Namemethyl 3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylate
SMILESCOC(=O)c1cccc2c1NC(=O)CN2
InChIInChI=1S/C10H10N2O3/c1-15-10(14)6-3-2-4-7-9(6)12-8(13)5-11-7/h2-4,11H,5H2,1H3,(H,12,13)
InChIKeyPETHEYLHVZZUKS-UHFFFAOYSA-N
XLogP0.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3,3-dimethyl-4-oxo-2,5-dihydro-1H-1,5-benzodiazepine-6-carboxylate
CID 115098711
methyl 4-oxospiro[2,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]-6-carboxylate
CID 115100058
methyl 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-8-carboxylate
CID 68501471
methyl 3-oxo-4H-1,4-benzoxazine-5-carboxylate
CID 59153381
methyl spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclohexane]-6-carboxylate
CID 115100140
methyl 1,1,2-trioxo-3,4-dihydro-1λ6,4-benzothiazine-5-carboxylate
CID 115095731
ethane;methyl 2,2-dimethyl-3-sulfanylidene-1,4-dihydroquinoxaline-5-carboxylate
CID 153394820
methyl 2,2-dimethyl-3-oxo-4H-1,4-benzothiazine-5-carboxylate
CID 115096573
methyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate
CID 117110564
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 3-methyl-1,1,4-trioxo-3,5-dihydro-2H-1λ6,5-benzothiazepine-9-carboxylate
CID 115098592
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylate?
The IUPAC name of methyl 3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylate (CID 115095927) is methyl 3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylate.
What is the SMILES notation for methyl 3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylate?
The canonical SMILES for methyl 3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylate is COC(=O)c1cccc2c1NC(=O)CN2.
What is the InChIKey of methyl 3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylate?
The InChIKey is PETHEYLHVZZUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-15-10(14)6-3-2-4-7-9(6)12-8(13)5-11-7/h2-4,11H,5H2,1H3,(H,12,13).
What are the key properties of methyl 3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylate?
methyl 3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylate is sourced from PubChem (CID 115095927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).