Laquinimod (sodium)

C19H17ClN2NaO3 — CID 66586725

IUPAC—
SMILESCCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1.[Na]
InChIInChI=1S/C19H17ClN2O3.Na/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;
InChIKeyAHIFNCNCUYJCOR-UHFFFAOYSA-N
MW379.80 g/mol
LogP3.18
Rot. Bonds3

About Laquinimod (sodium)

Laquinimod (sodium) (PubChem CID 66586725) has the molecular formula C19H17ClN2NaO3 and a molecular weight of 379.80 g/mol.

Molecular Properties

Compound NameLaquinimod (sodium)
PubChem CID66586725
Molecular FormulaC19H17ClN2NaO3
Molecular Weight379.80 g/mol
Exact Mass379.08
IUPAC Name—
SMILESCCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1.[Na]
InChIInChI=1S/C19H17ClN2O3.Na/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;
InChIKeyAHIFNCNCUYJCOR-UHFFFAOYSA-N
XLogP3.18
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Laquinimod (sodium)?
The IUPAC name of Laquinimod (sodium) (CID 66586725) is not available.
What is the SMILES notation for Laquinimod (sodium)?
The canonical SMILES for Laquinimod (sodium) is CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1.[Na].
What is the InChIKey of Laquinimod (sodium)?
The InChIKey is AHIFNCNCUYJCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3.Na/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 (sodium)?
Laquinimod (sodium) has a molecular weight of 379.80 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Laquinimod (sodium) is sourced from PubChem (CID 66586725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).