5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide

C19H17ClN2O4 — CID 154699716

IUPAC5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(Cl)cc(O)cc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C19H17ClN2O4/c1-3-22(11-7-5-4-6-8-11)19(26)16-17(24)15-13(20)9-12(23)10-14(15)21(2)18(16)25/h4-10,23-24H,3H2,1-2H3
InChIKeyJQKWEWTUEMBDKZ-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.27
Rot. Bonds3

About 5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide

5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 154699716) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID154699716
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(Cl)cc(O)cc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C19H17ClN2O4/c1-3-22(11-7-5-4-6-8-11)19(26)16-17(24)15-13(20)9-12(23)10-14(15)21(2)18(16)25/h4-10,23-24H,3H2,1-2H3
InChIKeyJQKWEWTUEMBDKZ-UHFFFAOYSA-N
XLogP3.27
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide with MolForge

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Related Compounds

Laquinimod
CID 54677946
5-chloro-N-ethyl-4,6-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 150636292
3-Quinolinecarboxamide, 5-chloro-N-ethyl-1,2-dihydro-4-hydroxy-N-(4-hydroxyphenyl)-1-methyl-2-oxo-
CID 154699630
5-chloro-N-ethyl-4,8-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 154699731
1-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54686113
N-(3-chlorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide
CID 54676567
5-chloro-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54687106
5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-propylquinoline-3-carboxamide
CID 54693843
5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenyl-N-prop-2-enylquinoline-3-carboxamide
CID 54707827
5-Chloro-1,2-dihydro-4-hydroxy-1-methyl-N-(1-methylethyl)-2-oxo-N-phenyl-3-quinolinecarboxamide
CID 54707832
4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 154699823
Laquinimod (sodium)
CID 66586725

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide (CID 154699716) is 5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide is CCN(C(=O)c1c(O)c2c(Cl)cc(O)cc2n(C)c1=O)c1ccccc1.
What is the InChIKey of 5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is JQKWEWTUEMBDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-3-22(11-7-5-4-6-8-11)19(26)16-17(24)15-13(20)9-12(23)10-14(15)21(2)18(16)25/h4-10,23-24H,3H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 154699716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).