methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate

C11H13NO2 — CID 10656920

IUPACmethyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C11H13NO2/c1-14-11(13)9-3-2-8-4-5-12-7-10(8)6-9/h2-3,6,12H,4-5,7H2,1H3
InChIKeyBTRHEGJEBOGNAU-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.12
Rot. Bonds1

About methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate

methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate (PubChem CID 10656920) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
PubChem CID10656920
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C11H13NO2/c1-14-11(13)9-3-2-8-4-5-12-7-10(8)6-9/h2-3,6,12H,4-5,7H2,1H3
InChIKeyBTRHEGJEBOGNAU-UHFFFAOYSA-N
XLogP1.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 1,2,3,4-tetrahydroisoquinoline-7-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

carbamoyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 91560040
1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
CID 121334078
propan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride
CID 133062529
(3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609310
methyl 5-bromo-1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 170899608
(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609315
methyl 2-hydroxy-3-(1,2,3,4-tetrahydroisoquinoline-7-carbonylamino)propanoate
CID 107222796
methyl 4-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-ylamino)benzoate
CID 170324606
ethane;methyl 3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 91090693
2-cyclobutylethyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 106202952
(4-bromophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 82806181
N-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid
CID 66898299

Frequently Asked Questions

What is the IUPAC name of methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate?
The IUPAC name of methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate (CID 10656920) is methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate.
What is the SMILES notation for methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate?
The canonical SMILES for methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate is COC(=O)c1ccc2c(c1)CNCC2.
What is the InChIKey of methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate?
The InChIKey is BTRHEGJEBOGNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-11(13)9-3-2-8-4-5-12-7-10(8)6-9/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate?
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate is sourced from PubChem (CID 10656920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).