7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid

C11H8INO3 — CID 22054488

IUPAC7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1cc2c(=O)c(C(=O)O)c[nH]c2cc1I
InChIInChI=1S/C11H8INO3/c1-5-2-6-9(3-8(5)12)13-4-7(10(6)14)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyFIJKYFYZRANBBG-UHFFFAOYSA-N
MW329.09 g/mol
LogP2.14
Rot. Bonds1

About 7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid

7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 22054488) has the molecular formula C11H8INO3 and a molecular weight of 329.09 g/mol. Its IUPAC name is 7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID22054488
Molecular FormulaC11H8INO3
Molecular Weight329.09 g/mol
Exact Mass328.95
IUPAC Name7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1cc2c(=O)c(C(=O)O)c[nH]c2cc1I
InChIInChI=1S/C11H8INO3/c1-5-2-6-9(3-8(5)12)13-4-7(10(6)14)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyFIJKYFYZRANBBG-UHFFFAOYSA-N
XLogP2.14
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.09
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-iodo-6-methyl-4-oxo-1H-quinoline-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 7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid (CID 22054488) is 7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid is Cc1cc2c(=O)c(C(=O)O)c[nH]c2cc1I.
What is the InChIKey of 7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is FIJKYFYZRANBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8INO3/c1-5-2-6-9(3-8(5)12)13-4-7(10(6)14)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16).
What are the key properties of 7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 329.09 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 22054488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).