1-[2-(dimethylamino)ethoxy]isoquinoline-5-carboxylic acid

C14H16N2O3 — CID 82569729

IUPAC1-[2-(dimethylamino)ethoxy]isoquinoline-5-carboxylic acid
SMILESCN(C)CCOc1nccc2c(C(=O)O)cccc12
InChIInChI=1S/C14H16N2O3/c1-16(2)8-9-19-13-11-4-3-5-12(14(17)18)10(11)6-7-15-13/h3-7H,8-9H2,1-2H3,(H,17,18)
InChIKeyLBYASEJCLPSKPS-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.87
Rot. Bonds5

About 1-[2-(dimethylamino)ethoxy]isoquinoline-5-carboxylic acid

1-[2-(dimethylamino)ethoxy]isoquinoline-5-carboxylic acid (PubChem CID 82569729) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethoxy]isoquinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethoxy]isoquinoline-5-carboxylic acid
PubChem CID82569729
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[2-(dimethylamino)ethoxy]isoquinoline-5-carboxylic acid
SMILESCN(C)CCOc1nccc2c(C(=O)O)cccc12
InChIInChI=1S/C14H16N2O3/c1-16(2)8-9-19-13-11-4-3-5-12(14(17)18)10(11)6-7-15-13/h3-7H,8-9H2,1-2H3,(H,17,18)
InChIKeyLBYASEJCLPSKPS-UHFFFAOYSA-N
XLogP1.87
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(dimethylamino)ethoxy]isoquinoline-5-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

Related Compounds

1-methoxyisoquinoline-5-carboxylic acid
CID 82569725
1-chloroisoquinoline-5-carboxylic acid
CID 21192483
2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid
CID 61104780
1-propan-2-ylisoquinoline-5-carboxylic acid
CID 178019104
1-[(2-methoxy-2-oxoethyl)amino]isoquinoline-5-carboxylic acid
CID 82571116
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
tert-butyl N-[1-[2-[2-(dimethylamino)ethoxy]-4-(1-ethoxyisoquinoline-5-carbonyl)-5-fluorophenyl]ethyl]carbamate
CID 140785516
1-(2-hydroxyethylamino)isoquinoline-5-carboxylic acid
CID 82571100
1-[3-(dimethylamino)propoxy]isoquinoline-3-carboxylic acid
CID 61103650
1-(1-carboxyethylamino)isoquinoline-5-carboxylic acid
CID 82571117
1-(4-methylpentoxy)isoquinoline-4-carboxylic acid
CID 106765776
5-pyridin-4-ylnaphthalene-1-carboxylic acid
CID 22118910

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethoxy]isoquinoline-5-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethoxy]isoquinoline-5-carboxylic acid (CID 82569729) is 1-[2-(dimethylamino)ethoxy]isoquinoline-5-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethoxy]isoquinoline-5-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethoxy]isoquinoline-5-carboxylic acid is CN(C)CCOc1nccc2c(C(=O)O)cccc12.
What is the InChIKey of 1-[2-(dimethylamino)ethoxy]isoquinoline-5-carboxylic acid?
The InChIKey is LBYASEJCLPSKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16(2)8-9-19-13-11-4-3-5-12(14(17)18)10(11)6-7-15-13/h3-7H,8-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(dimethylamino)ethoxy]isoquinoline-5-carboxylic acid?
1-[2-(dimethylamino)ethoxy]isoquinoline-5-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethoxy]isoquinoline-5-carboxylic acid is sourced from PubChem (CID 82569729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).