5-chloro-1-methylimidazo[1,2-a]quinoline-2-carboxylic acid

C13H9ClN2O2 — CID 14067511

IUPAC5-chloro-1-methylimidazo[1,2-a]quinoline-2-carboxylic acid
SMILESCc1c(C(=O)O)nc2cc(Cl)c3ccccc3n12
InChIInChI=1S/C13H9ClN2O2/c1-7-12(13(17)18)15-11-6-9(14)8-4-2-3-5-10(8)16(7)11/h2-6H,1H3,(H,17,18)
InChIKeyRSOCUJQWRANDOM-UHFFFAOYSA-N
MW260.68 g/mol
LogP3.15
Rot. Bonds1

About 5-chloro-1-methylimidazo[1,2-a]quinoline-2-carboxylic acid

5-chloro-1-methylimidazo[1,2-a]quinoline-2-carboxylic acid (PubChem CID 14067511) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is 5-chloro-1-methylimidazo[1,2-a]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-methylimidazo[1,2-a]quinoline-2-carboxylic acid
PubChem CID14067511
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Name5-chloro-1-methylimidazo[1,2-a]quinoline-2-carboxylic acid
SMILESCc1c(C(=O)O)nc2cc(Cl)c3ccccc3n12
InChIInChI=1S/C13H9ClN2O2/c1-7-12(13(17)18)15-11-6-9(14)8-4-2-3-5-10(8)16(7)11/h2-6H,1H3,(H,17,18)
InChIKeyRSOCUJQWRANDOM-UHFFFAOYSA-N
XLogP3.15
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methylimidazo[1,2-a]quinoline-2-carboxylic acid?
The IUPAC name of 5-chloro-1-methylimidazo[1,2-a]quinoline-2-carboxylic acid (CID 14067511) is 5-chloro-1-methylimidazo[1,2-a]quinoline-2-carboxylic acid.
What is the SMILES notation for 5-chloro-1-methylimidazo[1,2-a]quinoline-2-carboxylic acid?
The canonical SMILES for 5-chloro-1-methylimidazo[1,2-a]quinoline-2-carboxylic acid is Cc1c(C(=O)O)nc2cc(Cl)c3ccccc3n12.
What is the InChIKey of 5-chloro-1-methylimidazo[1,2-a]quinoline-2-carboxylic acid?
The InChIKey is RSOCUJQWRANDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2/c1-7-12(13(17)18)15-11-6-9(14)8-4-2-3-5-10(8)16(7)11/h2-6H,1H3,(H,17,18).
What are the key properties of 5-chloro-1-methylimidazo[1,2-a]quinoline-2-carboxylic acid?
5-chloro-1-methylimidazo[1,2-a]quinoline-2-carboxylic acid has a molecular weight of 260.68 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methylimidazo[1,2-a]quinoline-2-carboxylic acid is sourced from PubChem (CID 14067511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).