6-iodo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid

C12H10INO3 — CID 82252821

IUPAC6-iodo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid
SMILESCc1c(C(=O)O)n(C)c2ccc(I)cc2c1=O
InChIInChI=1S/C12H10INO3/c1-6-10(12(16)17)14(2)9-4-3-7(13)5-8(9)11(6)15/h3-5H,1-2H3,(H,16,17)
InChIKeyOUMGAXURIQXLBW-UHFFFAOYSA-N
MW343.12 g/mol
LogP2.15
Rot. Bonds1

About 6-iodo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid

6-iodo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid (PubChem CID 82252821) has the molecular formula C12H10INO3 and a molecular weight of 343.12 g/mol. Its IUPAC name is 6-iodo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-iodo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid
PubChem CID82252821
Molecular FormulaC12H10INO3
Molecular Weight343.12 g/mol
Exact Mass342.97
IUPAC Name6-iodo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid
SMILESCc1c(C(=O)O)n(C)c2ccc(I)cc2c1=O
InChIInChI=1S/C12H10INO3/c1-6-10(12(16)17)14(2)9-4-3-7(13)5-8(9)11(6)15/h3-5H,1-2H3,(H,16,17)
InChIKeyOUMGAXURIQXLBW-UHFFFAOYSA-N
XLogP2.15
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.12
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-iodo-1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82252954
5-tert-butyl-1,3-dimethylindole-2-carboxylic acid
CID 82497925
8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid
CID 82251615
1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride
CID 69398558
1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82246138
5-iodo-1,2-dimethylindole-3-carbaldehyde
CID 97035776
1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82247794
3-amino-5-bromo-1-methylindole-2-carboxylic acid
CID 83825958
3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 59596445
1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82242836
1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82248606
3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid
CID 83853725

Frequently Asked Questions

What is the IUPAC name of 6-iodo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 6-iodo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid (CID 82252821) is 6-iodo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 6-iodo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 6-iodo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid is Cc1c(C(=O)O)n(C)c2ccc(I)cc2c1=O.
What is the InChIKey of 6-iodo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid?
The InChIKey is OUMGAXURIQXLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO3/c1-6-10(12(16)17)14(2)9-4-3-7(13)5-8(9)11(6)15/h3-5H,1-2H3,(H,16,17).
What are the key properties of 6-iodo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid?
6-iodo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid has a molecular weight of 343.12 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82252821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).