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

C11H14ClNO2 — CID 44607839

IUPACmethyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)CNCC2.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-14-11(13)9-3-2-8-4-5-12-7-10(8)6-9;/h2-3,6,12H,4-5,7H2,1H3;1H
InChIKeyPUEZJQKDZBXXMM-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.54
Rot. Bonds1

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

methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate;hydrochloride (PubChem CID 44607839) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate;hydrochloride
PubChem CID44607839
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namemethyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)CNCC2.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-14-11(13)9-3-2-8-4-5-12-7-10(8)6-9;/h2-3,6,12H,4-5,7H2,1H3;1H
InChIKeyPUEZJQKDZBXXMM-UHFFFAOYSA-N
XLogP1.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate;hydrochloride?
The IUPAC name of methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate;hydrochloride (CID 44607839) is methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate;hydrochloride?
The canonical SMILES for methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate;hydrochloride is COC(=O)c1ccc2c(c1)CNCC2.Cl.
What is the InChIKey of methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate;hydrochloride?
The InChIKey is PUEZJQKDZBXXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-14-11(13)9-3-2-8-4-5-12-7-10(8)6-9;/h2-3,6,12H,4-5,7H2,1H3;1H.
What are the key properties of methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate;hydrochloride?
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.54, 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;hydrochloride is sourced from PubChem (CID 44607839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).