methyl 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydroiodide

C13H18INO3 — CID 19610257

IUPACmethyl 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydroiodide
SMILESCOC(=O)C1Cc2ccc(OC)cc2C(C)N1.I
InChIInChI=1S/C13H17NO3.HI/c1-8-11-7-10(16-2)5-4-9(11)6-12(14-8)13(15)17-3;/h4-5,7-8,12,14H,6H2,1-3H3;1H
InChIKeyQQLHWKFPMMTLGS-UHFFFAOYSA-N
MW363.20 g/mol
LogP2.06
Rot. Bonds2

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

methyl 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydroiodide (PubChem CID 19610257) has the molecular formula C13H18INO3 and a molecular weight of 363.20 g/mol. Its IUPAC name is methyl 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydroiodide.

Molecular Properties

Compound Namemethyl 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydroiodide
PubChem CID19610257
Molecular FormulaC13H18INO3
Molecular Weight363.20 g/mol
Exact Mass363.03
IUPAC Namemethyl 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydroiodide
SMILESCOC(=O)C1Cc2ccc(OC)cc2C(C)N1.I
InChIInChI=1S/C13H17NO3.HI/c1-8-11-7-10(16-2)5-4-9(11)6-12(14-8)13(15)17-3;/h4-5,7-8,12,14H,6H2,1-3H3;1H
InChIKeyQQLHWKFPMMTLGS-UHFFFAOYSA-N
XLogP2.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydroiodide?
The IUPAC name of methyl 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydroiodide (CID 19610257) is methyl 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydroiodide.
What is the SMILES notation for methyl 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydroiodide?
The canonical SMILES for methyl 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydroiodide is COC(=O)C1Cc2ccc(OC)cc2C(C)N1.I.
What is the InChIKey of methyl 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydroiodide?
The InChIKey is QQLHWKFPMMTLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3.HI/c1-8-11-7-10(16-2)5-4-9(11)6-12(14-8)13(15)17-3;/h4-5,7-8,12,14H,6H2,1-3H3;1H.
What are the key properties of methyl 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydroiodide?
methyl 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydroiodide has a molecular weight of 363.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydroiodide is sourced from PubChem (CID 19610257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).