N'-benzoyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide

C19H17N3O4 — CID 54679949

IUPACN'-benzoyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide
SMILESCCn1c(=O)c(C(=O)NNC(=O)c2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C19H17N3O4/c1-2-22-14-11-7-6-10-13(14)16(23)15(19(22)26)18(25)21-20-17(24)12-8-4-3-5-9-12/h3-11,23H,2H2,1H3,(H,20,24)(H,21,25)
InChIKeyBLTDFUJGRDWESQ-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.80
Rot. Bonds3

About N'-benzoyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide

N'-benzoyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide (PubChem CID 54679949) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N'-benzoyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide
PubChem CID54679949
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN'-benzoyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide
SMILESCCn1c(=O)c(C(=O)NNC(=O)c2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C19H17N3O4/c1-2-22-14-11-7-6-10-13(14)16(23)15(19(22)26)18(25)21-20-17(24)12-8-4-3-5-9-12/h3-11,23H,2H2,1H3,(H,20,24)(H,21,25)
InChIKeyBLTDFUJGRDWESQ-UHFFFAOYSA-N
XLogP1.80
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Roquinimex
CID 54676478
Zanthobisquinolone
CID 54688597
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
4-Hydroxy-1-methyl-3-phenyl-1,2-dihydroquinolin-2-one
CID 54680431
4-hydroxy-2-oxo-N'-pentanoyl-1,2-dihydroquinoline-3-carbohydrazide
CID 54703728
1-Butyl-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54683118
1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid phenethyl-amide
CID 54682638
1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54684065
2-{[3-(2-Butanoylhydrazinyl)-3-oxopropanoyl]amino}benzoic acid
CID 1627491
2-{[3-Oxo-3-(2-pentanoylhydrazinyl)propanoyl]amino}benzoic acid
CID 1859443
4-Hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)-1,2-dihydroquinoline-3-carboxamide
CID 54680142
2-Fluoro-benzoic acid N'-(4-hydroxy-1-methyl-2-oxo-1,2-dihydro-quinoline-3-carbonyl)-hydrazide
CID 54687089

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide?
The IUPAC name of N'-benzoyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide (CID 54679949) is N'-benzoyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide.
What is the SMILES notation for N'-benzoyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide?
The canonical SMILES for N'-benzoyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide is CCn1c(=O)c(C(=O)NNC(=O)c2ccccc2)c(O)c2ccccc21.
What is the InChIKey of N'-benzoyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide?
The InChIKey is BLTDFUJGRDWESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-2-22-14-11-7-6-10-13(14)16(23)15(19(22)26)18(25)21-20-17(24)12-8-4-3-5-9-12/h3-11,23H,2H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N'-benzoyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide?
N'-benzoyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide has a molecular weight of 351.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide is sourced from PubChem (CID 54679949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).