methyl 1,2-dihydroquinoxaline-2-carboxylate

C10H10N2O2 — CID 141421271

IUPACmethyl 1,2-dihydroquinoxaline-2-carboxylate
SMILESCOC(=O)C1C=Nc2ccccc2N1
InChIInChI=1S/C10H10N2O2/c1-14-10(13)9-6-11-7-4-2-3-5-8(7)12-9/h2-6,9,12H,1H3
InChIKeyUUBTUGFIWDZENW-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.36
Rot. Bonds1

About methyl 1,2-dihydroquinoxaline-2-carboxylate

methyl 1,2-dihydroquinoxaline-2-carboxylate (PubChem CID 141421271) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 1,2-dihydroquinoxaline-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,2-dihydroquinoxaline-2-carboxylate
PubChem CID141421271
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 1,2-dihydroquinoxaline-2-carboxylate
SMILESCOC(=O)C1C=Nc2ccccc2N1
InChIInChI=1S/C10H10N2O2/c1-14-10(13)9-6-11-7-4-2-3-5-8(7)12-9/h2-6,9,12H,1H3
InChIKeyUUBTUGFIWDZENW-UHFFFAOYSA-N
XLogP1.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1,2-dihydroquinoxaline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1,2-dihydroquinoxaline-2-carboxylate?
The IUPAC name of methyl 1,2-dihydroquinoxaline-2-carboxylate (CID 141421271) is methyl 1,2-dihydroquinoxaline-2-carboxylate.
What is the SMILES notation for methyl 1,2-dihydroquinoxaline-2-carboxylate?
The canonical SMILES for methyl 1,2-dihydroquinoxaline-2-carboxylate is COC(=O)C1C=Nc2ccccc2N1.
What is the InChIKey of methyl 1,2-dihydroquinoxaline-2-carboxylate?
The InChIKey is UUBTUGFIWDZENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-14-10(13)9-6-11-7-4-2-3-5-8(7)12-9/h2-6,9,12H,1H3.
What are the key properties of methyl 1,2-dihydroquinoxaline-2-carboxylate?
methyl 1,2-dihydroquinoxaline-2-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-dihydroquinoxaline-2-carboxylate is sourced from PubChem (CID 141421271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).