3-iodoquinoline-8-carboxylic acid

C10H6INO2 — CID 130624702

IUPAC3-iodoquinoline-8-carboxylic acid
SMILESO=C(O)c1cccc2cc(I)cnc12
InChIInChI=1S/C10H6INO2/c11-7-4-6-2-1-3-8(10(13)14)9(6)12-5-7/h1-5H,(H,13,14)
InChIKeyALDCJZVVFAFTCW-UHFFFAOYSA-N
MW299.07 g/mol
LogP2.54
Rot. Bonds1

About 3-iodoquinoline-8-carboxylic acid

3-iodoquinoline-8-carboxylic acid (PubChem CID 130624702) has the molecular formula C10H6INO2 and a molecular weight of 299.07 g/mol. Its IUPAC name is 3-iodoquinoline-8-carboxylic acid.

Molecular Properties

Compound Name3-iodoquinoline-8-carboxylic acid
PubChem CID130624702
Molecular FormulaC10H6INO2
Molecular Weight299.07 g/mol
Exact Mass298.94
IUPAC Name3-iodoquinoline-8-carboxylic acid
SMILESO=C(O)c1cccc2cc(I)cnc12
InChIInChI=1S/C10H6INO2/c11-7-4-6-2-1-3-8(10(13)14)9(6)12-5-7/h1-5H,(H,13,14)
InChIKeyALDCJZVVFAFTCW-UHFFFAOYSA-N
XLogP2.54
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.07
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-iodoquinoline-8-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 3-iodoquinoline-8-carboxylic acid?
The IUPAC name of 3-iodoquinoline-8-carboxylic acid (CID 130624702) is 3-iodoquinoline-8-carboxylic acid.
What is the SMILES notation for 3-iodoquinoline-8-carboxylic acid?
The canonical SMILES for 3-iodoquinoline-8-carboxylic acid is O=C(O)c1cccc2cc(I)cnc12.
What is the InChIKey of 3-iodoquinoline-8-carboxylic acid?
The InChIKey is ALDCJZVVFAFTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6INO2/c11-7-4-6-2-1-3-8(10(13)14)9(6)12-5-7/h1-5H,(H,13,14).
What are the key properties of 3-iodoquinoline-8-carboxylic acid?
3-iodoquinoline-8-carboxylic acid has a molecular weight of 299.07 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodoquinoline-8-carboxylic acid is sourced from PubChem (CID 130624702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).