4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1-propylquinoline-3-carbohydrazide

C20H21N3O5S — CID 54681788

IUPAC4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1-propylquinoline-3-carbohydrazide
SMILESCCCn1c(=O)c(C(=O)NNS(=O)(=O)c2ccc(C)cc2)c(O)c2ccccc21
InChIInChI=1S/C20H21N3O5S/c1-3-12-23-16-7-5-4-6-15(16)18(24)17(20(23)26)19(25)21-22-29(27,28)14-10-8-13(2)9-11-14/h4-11,22,24H,3,12H2,1-2H3,(H,21,25)
InChIKeyCLZBVSUBVGLWFS-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.05
Rot. Bonds6

About 4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1-propylquinoline-3-carbohydrazide

4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1-propylquinoline-3-carbohydrazide (PubChem CID 54681788) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1-propylquinoline-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1-propylquinoline-3-carbohydrazide
PubChem CID54681788
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1-propylquinoline-3-carbohydrazide
SMILESCCCn1c(=O)c(C(=O)NNS(=O)(=O)c2ccc(C)cc2)c(O)c2ccccc21
InChIInChI=1S/C20H21N3O5S/c1-3-12-23-16-7-5-4-6-15(16)18(24)17(20(23)26)19(25)21-22-29(27,28)14-10-8-13(2)9-11-14/h4-11,22,24H,3,12H2,1-2H3,(H,21,25)
InChIKeyCLZBVSUBVGLWFS-UHFFFAOYSA-N
XLogP2.05
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1-propylquinoline-3-carbohydrazide?
The IUPAC name of 4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1-propylquinoline-3-carbohydrazide (CID 54681788) is 4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1-propylquinoline-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1-propylquinoline-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1-propylquinoline-3-carbohydrazide is CCCn1c(=O)c(C(=O)NNS(=O)(=O)c2ccc(C)cc2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1-propylquinoline-3-carbohydrazide?
The InChIKey is CLZBVSUBVGLWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-3-12-23-16-7-5-4-6-15(16)18(24)17(20(23)26)19(25)21-22-29(27,28)14-10-8-13(2)9-11-14/h4-11,22,24H,3,12H2,1-2H3,(H,21,25).
What are the key properties of 4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1-propylquinoline-3-carbohydrazide?
4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1-propylquinoline-3-carbohydrazide has a molecular weight of 415.47 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-(4-methylphenyl)sulfonyl-2-oxo-1-propylquinoline-3-carbohydrazide is sourced from PubChem (CID 54681788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).