7-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

C11H12FNO3 — CID 82391673

IUPAC7-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
SMILESCOc1c(F)ccc2c1C(C(=O)O)NCC2
InChIInChI=1S/C11H12FNO3/c1-16-10-7(12)3-2-6-4-5-13-9(8(6)10)11(14)15/h2-3,9,13H,4-5H2,1H3,(H,14,15)
InChIKeyRAXYQGKMTWOMGR-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.11
Rot. Bonds2

About 7-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

7-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (PubChem CID 82391673) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 7-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
PubChem CID82391673
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name7-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
SMILESCOc1c(F)ccc2c1C(C(=O)O)NCC2
InChIInChI=1S/C11H12FNO3/c1-16-10-7(12)3-2-6-4-5-13-9(8(6)10)11(14)15/h2-3,9,13H,4-5H2,1H3,(H,14,15)
InChIKeyRAXYQGKMTWOMGR-UHFFFAOYSA-N
XLogP1.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The IUPAC name of 7-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (CID 82391673) is 7-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid.
What is the SMILES notation for 7-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The canonical SMILES for 7-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is COc1c(F)ccc2c1C(C(=O)O)NCC2.
What is the InChIKey of 7-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The InChIKey is RAXYQGKMTWOMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-16-10-7(12)3-2-6-4-5-13-9(8(6)10)11(14)15/h2-3,9,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 7-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
7-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is sourced from PubChem (CID 82391673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).