sodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide)

C38H34Cl2N4NaO6+ — CID 159773761

IUPACsodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide)
SMILESCCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1.CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1.[Na+]
InChIInChI=1S/2C19H17ClN2O3.Na/c2*1-3-22(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;/h2*4-11,23H,3H2,1-2H3;/q;;+1
InChIKeyGQAUPAXJEGDGRK-UHFFFAOYSA-N
MW736.61 g/mol
LogP4.13
Rot. Bonds6

About sodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide)

sodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide) (PubChem CID 159773761) has the molecular formula C38H34Cl2N4NaO6+ and a molecular weight of 736.61 g/mol. Its IUPAC name is sodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide).

Molecular Properties

Compound Namesodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide)
PubChem CID159773761
Molecular FormulaC38H34Cl2N4NaO6+
Molecular Weight736.61 g/mol
Exact Mass735.17
IUPAC Namesodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide)
SMILESCCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1.CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1.[Na+]
InChIInChI=1S/2C19H17ClN2O3.Na/c2*1-3-22(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;/h2*4-11,23H,3H2,1-2H3;/q;;+1
InChIKeyGQAUPAXJEGDGRK-UHFFFAOYSA-N
XLogP4.13
TPSA125.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500736.61
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide
CID 70122373
sodium 5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-olate
CID 23697158
5-chloro-N-ethyl-4-hydroxy-1-iodo-2-oxo-N-phenylquinoline-3-carboxamide
CID 90334675
N-(4-azidophenyl)-5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 91314834
zinc N,5-diethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54717328
N-ethyl-4-hydroxy-5-iodo-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 90346178
N-ethyl-4-hydroxy-5-methoxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54684693
N-ethyl-4-hydroxy-1-methyl-5-(2-methylphenyl)-2-oxo-N-phenylquinoline-3-carboxamide
CID 67082082
5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 130205800
[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] (2S)-2-amino-3-methylbutanoate
CID 130218265
5-chloro-4-hydroxy-1-methyl-2-oxo-N-(1,1,2,2,2-pentadeuterioethyl)-N-phenylquinoline-3-carboxamide;5-chloro-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylic acid;N-(1,1,2,2,2-pentadeuterioethyl)aniline
CID 158270623
[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl]oxymethyl 2-propylpentanoate
CID 130218197

Frequently Asked Questions

What is the IUPAC name of sodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide)?
The IUPAC name of sodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide) (CID 159773761) is sodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide).
What is the SMILES notation for sodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide)?
The canonical SMILES for sodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide) is CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1.CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1.[Na+].
What is the InChIKey of sodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide)?
The InChIKey is GQAUPAXJEGDGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H17ClN2O3.Na/c2*1-3-22(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;/h2*4-11,23H,3H2,1-2H3;/q;;+1.
What are the key properties of sodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide)?
sodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide) has a molecular weight of 736.61 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide) is sourced from PubChem (CID 159773761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).