5-iodo-7-methyl-4-oxo-1H-quinoline-2-carboxylic acid

C11H8INO3 — CID 14842739

IUPAC5-iodo-7-methyl-4-oxo-1H-quinoline-2-carboxylic acid
SMILESCc1cc(I)c2c(=O)cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C11H8INO3/c1-5-2-6(12)10-7(3-5)13-8(11(15)16)4-9(10)14/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyXIJAMGIOZWTABH-UHFFFAOYSA-N
MW329.09 g/mol
LogP2.14
Rot. Bonds1

About 5-iodo-7-methyl-4-oxo-1H-quinoline-2-carboxylic acid

5-iodo-7-methyl-4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 14842739) has the molecular formula C11H8INO3 and a molecular weight of 329.09 g/mol. Its IUPAC name is 5-iodo-7-methyl-4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name5-iodo-7-methyl-4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID14842739
Molecular FormulaC11H8INO3
Molecular Weight329.09 g/mol
Exact Mass328.95
IUPAC Name5-iodo-7-methyl-4-oxo-1H-quinoline-2-carboxylic acid
SMILESCc1cc(I)c2c(=O)cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C11H8INO3/c1-5-2-6(12)10-7(3-5)13-8(11(15)16)4-9(10)14/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyXIJAMGIOZWTABH-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-7-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 5-iodo-7-methyl-4-oxo-1H-quinoline-2-carboxylic acid (CID 14842739) is 5-iodo-7-methyl-4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 5-iodo-7-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 5-iodo-7-methyl-4-oxo-1H-quinoline-2-carboxylic acid is Cc1cc(I)c2c(=O)cc(C(=O)O)[nH]c2c1.
What is the InChIKey of 5-iodo-7-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is XIJAMGIOZWTABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8INO3/c1-5-2-6(12)10-7(3-5)13-8(11(15)16)4-9(10)14/h2-4H,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-iodo-7-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
5-iodo-7-methyl-4-oxo-1H-quinoline-2-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 5-iodo-7-methyl-4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 14842739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).