1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-3-carboxylic acid

C15H9ClN2O3 — CID 64600585

IUPAC1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2c(Oc2cncc(Cl)c2)n1
InChIInChI=1S/C15H9ClN2O3/c16-10-6-11(8-17-7-10)21-14-12-4-2-1-3-9(12)5-13(18-14)15(19)20/h1-8H,(H,19,20)
InChIKeyIWOYGYUUQZHJPC-UHFFFAOYSA-N
MW300.70 g/mol
LogP3.77
Rot. Bonds3

About 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-3-carboxylic acid

1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-3-carboxylic acid (PubChem CID 64600585) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-3-carboxylic acid
PubChem CID64600585
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2c(Oc2cncc(Cl)c2)n1
InChIInChI=1S/C15H9ClN2O3/c16-10-6-11(8-17-7-10)21-14-12-4-2-1-3-9(12)5-13(18-14)15(19)20/h1-8H,(H,19,20)
InChIKeyIWOYGYUUQZHJPC-UHFFFAOYSA-N
XLogP3.77
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-3-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 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-3-carboxylic acid?
The IUPAC name of 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-3-carboxylic acid (CID 64600585) is 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-3-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-3-carboxylic acid is O=C(O)c1cc2ccccc2c(Oc2cncc(Cl)c2)n1.
What is the InChIKey of 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-3-carboxylic acid?
The InChIKey is IWOYGYUUQZHJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-10-6-11(8-17-7-10)21-14-12-4-2-1-3-9(12)5-13(18-14)15(19)20/h1-8H,(H,19,20).
What are the key properties of 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-3-carboxylic acid?
1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-3-carboxylic acid has a molecular weight of 300.70 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-3-carboxylic acid is sourced from PubChem (CID 64600585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).