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Roquinimex

C18H16N2O3 — CID 54676478

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

IUPAC4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCN(C(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-19(12-8-4-3-5-9-12)17(22)15-16(21)13-10-6-7-11-14(13)20(2)18(15)23/h3-11,21H,1-2H3
InChIKeySGOOQMRIPALTEL-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.52
Rot. Bonds2

About Roquinimex

Roquinimex (PubChem CID 54676478) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound NameRoquinimex
PubChem CID54676478
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCN(C(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-19(12-8-4-3-5-9-12)17(22)15-16(21)13-10-6-7-11-14(13)20(2)18(15)23/h3-11,21H,1-2H3
InChIKeySGOOQMRIPALTEL-UHFFFAOYSA-N
XLogP2.52
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Laquinimod
CID 54677946
3-Quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester
CID 54682929
4-Hydroxy-N-methylcarbostyril
CID 54686436
Paquinimod
CID 54684617
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
N-(1-Benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine
CID 54685215
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
3-Benzylquinoline-2,4-diol
CID 54680363
1-Benzyl-4-hydroxyquinolin-2(1H)-one
CID 54680863
4-Hydroxy-1-methyl-3-phenyl-1,2-dihydroquinolin-2-one
CID 54680431
3-Quinolinecarboxamide, 1,2-dihydro-N-ethyl-4-hydroxy-2-oxo-
CID 54680440

Frequently Asked Questions

What is the IUPAC name of Roquinimex?
The IUPAC name of Roquinimex (CID 54676478) is 4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for Roquinimex?
The canonical SMILES for Roquinimex is CN(C(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccccc1.
What is the InChIKey of Roquinimex?
The InChIKey is SGOOQMRIPALTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-19(12-8-4-3-5-9-12)17(22)15-16(21)13-10-6-7-11-14(13)20(2)18(15)23/h3-11,21H,1-2H3.
What are the key properties of Roquinimex?
Roquinimex has a molecular weight of 308.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Roquinimex is sourced from PubChem (CID 54676478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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