2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid

C19H18N2O5S — CID 135442499

IUPAC2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid
SMILESCCn1c(=O)c(/C(C)=N/c2ccccc2S(=O)(=O)O)c(O)c2ccccc21
InChIInChI=1S/C19H18N2O5S/c1-3-21-15-10-6-4-8-13(15)18(22)17(19(21)23)12(2)20-14-9-5-7-11-16(14)27(24,25)26/h4-11,22H,3H2,1-2H3,(H,24,25,26)/b20-12+
InChIKeyNOJHCINFNLDBSP-UDWIEESQSA-N
MW386.43 g/mol
LogP3.11
Rot. Bonds4

About 2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid

2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid (PubChem CID 135442499) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid.

Molecular Properties

Compound Name2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid
PubChem CID135442499
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid
SMILESCCn1c(=O)c(/C(C)=N/c2ccccc2S(=O)(=O)O)c(O)c2ccccc21
InChIInChI=1S/C19H18N2O5S/c1-3-21-15-10-6-4-8-13(15)18(22)17(19(21)23)12(2)20-14-9-5-7-11-16(14)27(24,25)26/h4-11,22H,3H2,1-2H3,(H,24,25,26)/b20-12+
InChIKeyNOJHCINFNLDBSP-UDWIEESQSA-N
XLogP3.11
TPSA108.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one
CID 135473752
1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 136671574
1-ethyl-3-[(E)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 135679488
4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135525034
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
N-[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680635
3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one
CID 135454306
1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
CID 54686774
N-[2-(dimethylamino)ethyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
CID 54736678
3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one
CID 135482604
1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one
CID 54704797
4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135470083

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid?
The IUPAC name of 2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid (CID 135442499) is 2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid.
What is the SMILES notation for 2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid?
The canonical SMILES for 2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid is CCn1c(=O)c(/C(C)=N/c2ccccc2S(=O)(=O)O)c(O)c2ccccc21.
What is the InChIKey of 2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid?
The InChIKey is NOJHCINFNLDBSP-UDWIEESQSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-3-21-15-10-6-4-8-13(15)18(22)17(19(21)23)12(2)20-14-9-5-7-11-16(14)27(24,25)26/h4-11,22H,3H2,1-2H3,(H,24,25,26)/b20-12+.
What are the key properties of 2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid?
2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid has a molecular weight of 386.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid is sourced from PubChem (CID 135442499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).