5-chloro-N-ethyl-4-hydroxy-N-(4-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide

C19H17ClN2O4 — CID 154699630

IUPAC5-chloro-N-ethyl-4-hydroxy-N-(4-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccc(O)cc1
InChIInChI=1S/C19H17ClN2O4/c1-3-22(11-7-9-12(23)10-8-11)19(26)16-17(24)15-13(20)5-4-6-14(15)21(2)18(16)25/h4-10,23-24H,3H2,1-2H3
InChIKeyHBMNTNTZJMZXKP-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.27
Rot. Bonds3

About 5-chloro-N-ethyl-4-hydroxy-N-(4-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide

5-chloro-N-ethyl-4-hydroxy-N-(4-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 154699630) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-hydroxy-N-(4-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-hydroxy-N-(4-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID154699630
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name5-chloro-N-ethyl-4-hydroxy-N-(4-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccc(O)cc1
InChIInChI=1S/C19H17ClN2O4/c1-3-22(11-7-9-12(23)10-8-11)19(26)16-17(24)15-13(20)5-4-6-14(15)21(2)18(16)25/h4-10,23-24H,3H2,1-2H3
InChIKeyHBMNTNTZJMZXKP-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

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Related Compounds

Laquinimod
CID 54677946
N-(2-Chlorobenzyl)-1-ethyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54687004
N-[(2-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54687813
Laquinimod Sodium
CID 23697158
1-butyl-N-[(2-chlorophenyl)methyl]-2-hydroxy-4-oxoquinoline-3-carboxamide
CID 54678164
N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 54686746
N-(2-(4-Chlorophenyl)ethyl)-1,2-dihydro-4-hydroxy-2-oxo-1-propyl-3-quinolinecarboxamide
CID 54704913
N-(4-chlorobenzyl)-4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54676948
3-Quinolinecarboxamide, 1,2-dihydro-N-((2-chlorophenyl)methyl)-4-hydroxy-2-oxo-
CID 54678957
5-chloro-N-ethyl-4,6-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 150636292
5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 154699716
5-chloro-N-ethyl-4,8-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 154699731

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-hydroxy-N-(4-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-4-hydroxy-N-(4-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide (CID 154699630) is 5-chloro-N-ethyl-4-hydroxy-N-(4-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-4-hydroxy-N-(4-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-4-hydroxy-N-(4-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide is CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccc(O)cc1.
What is the InChIKey of 5-chloro-N-ethyl-4-hydroxy-N-(4-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is HBMNTNTZJMZXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-3-22(11-7-9-12(23)10-8-11)19(26)16-17(24)15-13(20)5-4-6-14(15)21(2)18(16)25/h4-10,23-24H,3H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-4-hydroxy-N-(4-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide?
5-chloro-N-ethyl-4-hydroxy-N-(4-hydroxyphenyl)-1-methyl-2-oxoquinoline-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-hydroxy-N-(4-hydroxyphenyl)-1-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 154699630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).