ethyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylate

C13H17NO2 — CID 165469922

IUPACethyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylate
SMILESCCOC(=O)c1cc(C)cc2c1CNCC2
InChIInChI=1S/C13H17NO2/c1-3-16-13(15)11-7-9(2)6-10-4-5-14-8-12(10)11/h6-7,14H,3-5,8H2,1-2H3
InChIKeyIPSICAGICZJYDB-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.82
Rot. Bonds2

About ethyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylate

ethyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylate (PubChem CID 165469922) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylate
PubChem CID165469922
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylate
SMILESCCOC(=O)c1cc(C)cc2c1CNCC2
InChIInChI=1S/C13H17NO2/c1-3-16-13(15)11-7-9(2)6-10-4-5-14-8-12(10)11/h6-7,14H,3-5,8H2,1-2H3
InChIKeyIPSICAGICZJYDB-UHFFFAOYSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-8-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

ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-3-carboxylate
CID 131436081
ethyl 2,3-difluoro-5-methylbenzoate
CID 122129684
ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride
CID 66523915
ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate;hydrochloride
CID 68822583
ethyl 2-ethyl-3,5-dimethylbenzoate
CID 152572312
ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-3-carboxylate
CID 84666770
diethyl 3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene-2,4-dicarboxylate
CID 102151340
ethyl 3-amino-2-chloro-5-methylbenzoate
CID 131383830
ethyl 3-iodo-5-methylbenzoate
CID 79018034
ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 21056777
3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
CID 10611493
ethyl 2-amino-3-methoxy-5-methylbenzoate
CID 54595934

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylate?
The IUPAC name of ethyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylate (CID 165469922) is ethyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylate.
What is the SMILES notation for ethyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylate?
The canonical SMILES for ethyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylate is CCOC(=O)c1cc(C)cc2c1CNCC2.
What is the InChIKey of ethyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylate?
The InChIKey is IPSICAGICZJYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-16-13(15)11-7-9(2)6-10-4-5-14-8-12(10)11/h6-7,14H,3-5,8H2,1-2H3.
What are the key properties of ethyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylate?
ethyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylate is sourced from PubChem (CID 165469922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).