methyl 2,3-dihydroquinoxaline-6-carboxylate

C10H10N2O2 — CID 123899149

IUPACmethyl 2,3-dihydroquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)=NCCN=2
InChIInChI=1S/C10H10N2O2/c1-14-10(13)7-2-3-8-9(6-7)12-5-4-11-8/h2-3,6H,4-5H2,1H3
InChIKeyLEHXBYHAQNGFLH-UHFFFAOYSA-N
MW190.20 g/mol
LogP-0.27
Rot. Bonds1

About methyl 2,3-dihydroquinoxaline-6-carboxylate

methyl 2,3-dihydroquinoxaline-6-carboxylate (PubChem CID 123899149) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 2,3-dihydroquinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dihydroquinoxaline-6-carboxylate
PubChem CID123899149
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 2,3-dihydroquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)=NCCN=2
InChIInChI=1S/C10H10N2O2/c1-14-10(13)7-2-3-8-9(6-7)12-5-4-11-8/h2-3,6H,4-5H2,1H3
InChIKeyLEHXBYHAQNGFLH-UHFFFAOYSA-N
XLogP-0.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-fluoro-2H-indole-5-carboxylate
CID 150743225
Methyl 3-fluoro-2,3-dihydroquinoxaline-6-carboxylate
CID 163796855
ethyl (2R)-2-methyl-3-oxo-2H-quinoxaline-6-carboxylate
CID 119057460
Methyl 2,3-dioxoquinoxaline-6-carboxylate
CID 45034974
Methyl 4-aminooxyiminocyclohexa-1,5-diene-1-carboxylate
CID 53918569
Methyl 3-diazocyclohexa-1,5-diene-1-carboxylate
CID 54147688
Methyl 4-(3-methoxy-3-oxopropyl)iminocyclohexa-1,5-diene-1-carboxylate
CID 67807430
Methyl 2-oxobenzimidazole-5-carboxylate
CID 68557267
Methyl 4-(chloromethylimino)cyclohexa-1,5-diene-1-carboxylate;hydrochloride
CID 70456484
Prop-2-enyl 4-methyliminocyclohexa-1,5-diene-1-carboxylate
CID 70456587
Methyl 3,4-diiminocyclohexa-1,5-diene-1-carboxylate
CID 89322291
Methyl 4-diazocyclohexa-1,5-diene-1-carboxylate
CID 90098303

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydroquinoxaline-6-carboxylate?
The IUPAC name of methyl 2,3-dihydroquinoxaline-6-carboxylate (CID 123899149) is methyl 2,3-dihydroquinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2,3-dihydroquinoxaline-6-carboxylate?
The canonical SMILES for methyl 2,3-dihydroquinoxaline-6-carboxylate is COC(=O)c1ccc2c(c1)=NCCN=2.
What is the InChIKey of methyl 2,3-dihydroquinoxaline-6-carboxylate?
The InChIKey is LEHXBYHAQNGFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-14-10(13)7-2-3-8-9(6-7)12-5-4-11-8/h2-3,6H,4-5H2,1H3.
What are the key properties of methyl 2,3-dihydroquinoxaline-6-carboxylate?
methyl 2,3-dihydroquinoxaline-6-carboxylate has a molecular weight of 190.20 g/mol, XLogP of -0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydroquinoxaline-6-carboxylate is sourced from PubChem (CID 123899149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).