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Laquinimod

C19H17ClN2O3 — CID 54677946

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C19H17ClN2O3/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24/h4-11,23H,3H2,1-2H3
InChIKeyGKWPCEFFIHSJOE-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.56
Rot. Bonds3

About Laquinimod

Laquinimod (PubChem CID 54677946) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound NameLaquinimod
PubChem CID54677946
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C19H17ClN2O3/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24/h4-11,23H,3H2,1-2H3
InChIKeyGKWPCEFFIHSJOE-UHFFFAOYSA-N
XLogP3.56
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Roquinimex
CID 54676478
Paquinimod
CID 54684617
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
1-Benzyl-4-hydroxyquinolin-2(1H)-one
CID 54680863
1-Butyl-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54683118
1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid phenethyl-amide
CID 54682638
1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54684065
4-Hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)-1,2-dihydroquinoline-3-carboxamide
CID 54680142
4-Hydroxy-1-methyl-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid m-tolylamide
CID 54679771
Laquinimod Sodium
CID 23697158
3-Quinolinecarboxamide, 1,2-dihydro-N-((2-chlorophenyl)methyl)-4-hydroxy-2-oxo-
CID 54678957
N-(2-Chlorobenzyl)-1-ethyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54687004

Frequently Asked Questions

What is the IUPAC name of Laquinimod?
The IUPAC name of Laquinimod (CID 54677946) is 5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for Laquinimod?
The canonical SMILES for Laquinimod is CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1.
What is the InChIKey of Laquinimod?
The InChIKey is GKWPCEFFIHSJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24/h4-11,23H,3H2,1-2H3.
What are the key properties of Laquinimod?
Laquinimod has a molecular weight of 356.81 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Laquinimod is sourced from PubChem (CID 54677946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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