5,8-dimethoxyisoquinoline-1-carboxylic acid

C12H11NO4 — CID 82390143

IUPAC5,8-dimethoxyisoquinoline-1-carboxylic acid
SMILESCOc1ccc(OC)c2c(C(=O)O)nccc12
InChIInChI=1S/C12H11NO4/c1-16-8-3-4-9(17-2)10-7(8)5-6-13-11(10)12(14)15/h3-6H,1-2H3,(H,14,15)
InChIKeyAAIHECFTGRDHIT-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.95
Rot. Bonds3

About 5,8-dimethoxyisoquinoline-1-carboxylic acid

5,8-dimethoxyisoquinoline-1-carboxylic acid (PubChem CID 82390143) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 5,8-dimethoxyisoquinoline-1-carboxylic acid.

Molecular Properties

Compound Name5,8-dimethoxyisoquinoline-1-carboxylic acid
PubChem CID82390143
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name5,8-dimethoxyisoquinoline-1-carboxylic acid
SMILESCOc1ccc(OC)c2c(C(=O)O)nccc12
InChIInChI=1S/C12H11NO4/c1-16-8-3-4-9(17-2)10-7(8)5-6-13-11(10)12(14)15/h3-6H,1-2H3,(H,14,15)
InChIKeyAAIHECFTGRDHIT-UHFFFAOYSA-N
XLogP1.95
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxyisoquinoline-1-carboxylic acid;hydrochloride
CID 166176614
2-[(8-amino-5-methoxyisoquinolin-1-yl)amino]acetic acid
CID 82569965
3-cyano-4-methoxypyridine-2-carboxylic acid
CID 130966526
2-chloro-N-[(5,8-dimethoxyisoquinolin-1-yl)methyl]acetamide
CID 14092040
5-bromo-7-methoxyisoquinoline-1-carboxylic acid
CID 125426673
3,4-dimethoxy-N-methylpyridine-2-carboxamide
CID 156506686
(2-acetyl-4-methoxy-3-pyridinyl) acetate
CID 58914368
N-hydroxy-5-methoxyisoquinoline-1-carboxamide
CID 82574351
3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid
CID 71306308
2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid
CID 82571596
3-methoxypyrazine-2-carboxylic acid
CID 22395692
6,7-dimethoxy-1,2-benzoxazole-3-carboxylic acid
CID 117109892

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxyisoquinoline-1-carboxylic acid?
The IUPAC name of 5,8-dimethoxyisoquinoline-1-carboxylic acid (CID 82390143) is 5,8-dimethoxyisoquinoline-1-carboxylic acid.
What is the SMILES notation for 5,8-dimethoxyisoquinoline-1-carboxylic acid?
The canonical SMILES for 5,8-dimethoxyisoquinoline-1-carboxylic acid is COc1ccc(OC)c2c(C(=O)O)nccc12.
What is the InChIKey of 5,8-dimethoxyisoquinoline-1-carboxylic acid?
The InChIKey is AAIHECFTGRDHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-16-8-3-4-9(17-2)10-7(8)5-6-13-11(10)12(14)15/h3-6H,1-2H3,(H,14,15).
What are the key properties of 5,8-dimethoxyisoquinoline-1-carboxylic acid?
5,8-dimethoxyisoquinoline-1-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxyisoquinoline-1-carboxylic acid is sourced from PubChem (CID 82390143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).