methyl 8-amino-1,2,3,4-tetrahydroquinoxaline-6-carboxylate

C10H13N3O2 — CID 138491920

IUPACmethyl 8-amino-1,2,3,4-tetrahydroquinoxaline-6-carboxylate
SMILESCOC(=O)c1cc(N)c2c(c1)NCCN2
InChIInChI=1S/C10H13N3O2/c1-15-10(14)6-4-7(11)9-8(5-6)12-2-3-13-9/h4-5,12-13H,2-3,11H2,1H3
InChIKeyALNREYXZENYLRV-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.89
Rot. Bonds1

About methyl 8-amino-1,2,3,4-tetrahydroquinoxaline-6-carboxylate

methyl 8-amino-1,2,3,4-tetrahydroquinoxaline-6-carboxylate (PubChem CID 138491920) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 8-amino-1,2,3,4-tetrahydroquinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-amino-1,2,3,4-tetrahydroquinoxaline-6-carboxylate
PubChem CID138491920
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Namemethyl 8-amino-1,2,3,4-tetrahydroquinoxaline-6-carboxylate
SMILESCOC(=O)c1cc(N)c2c(c1)NCCN2
InChIInChI=1S/C10H13N3O2/c1-15-10(14)6-4-7(11)9-8(5-6)12-2-3-13-9/h4-5,12-13H,2-3,11H2,1H3
InChIKeyALNREYXZENYLRV-UHFFFAOYSA-N
XLogP0.89
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl 8-amino-1,2,3,4-tetrahydroquinoxaline-6-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate
CID 68701783
methyl 8-iodo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
CID 45043237
methyl 8-fluoro-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
CID 45043236
methyl 3-amino-4-hydrazinylbenzoate
CID 22411187
methyl 3-amino-5-methoxy-4-methylbenzoate
CID 14760985
methyl 7-amino-2-bromo-1-benzofuran-5-carboxylate
CID 83920390
methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate
CID 91827961
methyl 4-amino-6-cyanonaphthalene-2-carboxylate
CID 18680096
methyl 7-methyl-1-oxo-2,3-dihydroisoindole-5-carboxylate
CID 155893514
methyl 7-amino-1-methylindole-5-carboxylate
CID 118394722
methyl 3-amino-5-methoxy-4-(methylamino)benzoate
CID 129205768
methyl 3-amino-5-cyano-4-methylbenzoate
CID 162342400

Frequently Asked Questions

What is the IUPAC name of methyl 8-amino-1,2,3,4-tetrahydroquinoxaline-6-carboxylate?
The IUPAC name of methyl 8-amino-1,2,3,4-tetrahydroquinoxaline-6-carboxylate (CID 138491920) is methyl 8-amino-1,2,3,4-tetrahydroquinoxaline-6-carboxylate.
What is the SMILES notation for methyl 8-amino-1,2,3,4-tetrahydroquinoxaline-6-carboxylate?
The canonical SMILES for methyl 8-amino-1,2,3,4-tetrahydroquinoxaline-6-carboxylate is COC(=O)c1cc(N)c2c(c1)NCCN2.
What is the InChIKey of methyl 8-amino-1,2,3,4-tetrahydroquinoxaline-6-carboxylate?
The InChIKey is ALNREYXZENYLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-15-10(14)6-4-7(11)9-8(5-6)12-2-3-13-9/h4-5,12-13H,2-3,11H2,1H3.
What are the key properties of methyl 8-amino-1,2,3,4-tetrahydroquinoxaline-6-carboxylate?
methyl 8-amino-1,2,3,4-tetrahydroquinoxaline-6-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 0.89, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-amino-1,2,3,4-tetrahydroquinoxaline-6-carboxylate is sourced from PubChem (CID 138491920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).