7-methoxy-6-methylisoquinoline-3-carboxylic acid

C12H11NO3 — CID 82393522

IUPAC7-methoxy-6-methylisoquinoline-3-carboxylic acid
SMILESCOc1cc2cnc(C(=O)O)cc2cc1C
InChIInChI=1S/C12H11NO3/c1-7-3-8-4-10(12(14)15)13-6-9(8)5-11(7)16-2/h3-6H,1-2H3,(H,14,15)
InChIKeyYKPFQDRTELIICT-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.25
Rot. Bonds2

About 7-methoxy-6-methylisoquinoline-3-carboxylic acid

7-methoxy-6-methylisoquinoline-3-carboxylic acid (PubChem CID 82393522) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 7-methoxy-6-methylisoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-6-methylisoquinoline-3-carboxylic acid
PubChem CID82393522
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name7-methoxy-6-methylisoquinoline-3-carboxylic acid
SMILESCOc1cc2cnc(C(=O)O)cc2cc1C
InChIInChI=1S/C12H11NO3/c1-7-3-8-4-10(12(14)15)13-6-9(8)5-11(7)16-2/h3-6H,1-2H3,(H,14,15)
InChIKeyYKPFQDRTELIICT-UHFFFAOYSA-N
XLogP2.25
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-methylisoquinoline-3-carboxylic acid?
The IUPAC name of 7-methoxy-6-methylisoquinoline-3-carboxylic acid (CID 82393522) is 7-methoxy-6-methylisoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-methoxy-6-methylisoquinoline-3-carboxylic acid?
The canonical SMILES for 7-methoxy-6-methylisoquinoline-3-carboxylic acid is COc1cc2cnc(C(=O)O)cc2cc1C.
What is the InChIKey of 7-methoxy-6-methylisoquinoline-3-carboxylic acid?
The InChIKey is YKPFQDRTELIICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7-3-8-4-10(12(14)15)13-6-9(8)5-11(7)16-2/h3-6H,1-2H3,(H,14,15).
What are the key properties of 7-methoxy-6-methylisoquinoline-3-carboxylic acid?
7-methoxy-6-methylisoquinoline-3-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-methylisoquinoline-3-carboxylic acid is sourced from PubChem (CID 82393522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).