5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-propylquinoline-3-carboxamide

C20H19ClN2O3 — CID 54693843

IUPAC5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-propylquinoline-3-carboxamide
SMILESCCCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C20H19ClN2O3/c1-3-12-23(13-8-5-4-6-9-13)20(26)17-18(24)16-14(21)10-7-11-15(16)22(2)19(17)25/h4-11,24H,3,12H2,1-2H3
InChIKeyWOXJTIYXWABWRX-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.95
Rot. Bonds4

About 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-propylquinoline-3-carboxamide

5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-propylquinoline-3-carboxamide (PubChem CID 54693843) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-propylquinoline-3-carboxamide.

Molecular Properties

Compound Name5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-propylquinoline-3-carboxamide
PubChem CID54693843
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-propylquinoline-3-carboxamide
SMILESCCCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C20H19ClN2O3/c1-3-12-23(13-8-5-4-6-9-13)20(26)17-18(24)16-14(21)10-7-11-15(16)22(2)19(17)25/h4-11,24H,3,12H2,1-2H3
InChIKeyWOXJTIYXWABWRX-UHFFFAOYSA-N
XLogP3.95
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Laquinimod
CID 54677946
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
N-(2-Chlorobenzyl)-1-ethyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54687004
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
N-[(2-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54687813
4-Hydroxy-1-methyl-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid m-tolylamide
CID 54679771

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-propylquinoline-3-carboxamide?
The IUPAC name of 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-propylquinoline-3-carboxamide (CID 54693843) is 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-propylquinoline-3-carboxamide.
What is the SMILES notation for 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-propylquinoline-3-carboxamide?
The canonical SMILES for 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-propylquinoline-3-carboxamide is CCCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1.
What is the InChIKey of 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-propylquinoline-3-carboxamide?
The InChIKey is WOXJTIYXWABWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-3-12-23(13-8-5-4-6-9-13)20(26)17-18(24)16-14(21)10-7-11-15(16)22(2)19(17)25/h4-11,24H,3,12H2,1-2H3.
What are the key properties of 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-propylquinoline-3-carboxamide?
5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-propylquinoline-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-propylquinoline-3-carboxamide is sourced from PubChem (CID 54693843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).