1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carbohydrazide

C17H21FN4O2 — CID 718471

IUPAC1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carbohydrazide
SMILESCCn1cc(C(=O)NN)c(=O)c2cc(F)c(N3CCCCC3)cc21
InChIInChI=1S/C17H21FN4O2/c1-2-21-10-12(17(24)20-19)16(23)11-8-13(18)15(9-14(11)21)22-6-4-3-5-7-22/h8-10H,2-7,19H2,1H3,(H,20,24)
InChIKeyWOJFJMQJNVFJAL-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.75
Rot. Bonds3

About 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carbohydrazide

1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carbohydrazide (PubChem CID 718471) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carbohydrazide
PubChem CID718471
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carbohydrazide
SMILESCCn1cc(C(=O)NN)c(=O)c2cc(F)c(N3CCCCC3)cc21
InChIInChI=1S/C17H21FN4O2/c1-2-21-10-12(17(24)20-19)16(23)11-8-13(18)15(9-14(11)21)22-6-4-3-5-7-22/h8-10H,2-7,19H2,1H3,(H,20,24)
InChIKeyWOJFJMQJNVFJAL-UHFFFAOYSA-N
XLogP1.75
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carbohydrazide
CID 627579
1-Ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carbohydrazide
CID 919346
1-Ethyl-6-fluoro-7-(piperazin-1-YL)quinolin-4(1H)-one
CID 12733939
7-(Cyclohexylamino)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carbohydrazide
CID 718467
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-propyl-1,4-dihydroquinoline-3-carboxamide
CID 1893821
1-ethyl-6-fluoro-N-hexyl-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 1895893
n-(3-Amino-4-propyl-phenyl)-4-oxo-1h-quinoline-3-carboxamide
CID 66675476
Decarboxyciprofloxacin
CID 9838858
7-(4-Acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-N-hydroxy-4-oxoquinoline-3-carboxamide (2a)
CID 126842384
7-(4-Acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-N-methyl-4-oxoquinoline-3-carboxamide (3a)
CID 126842389
7-(4-Acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carbohydrazide (5a)
CID 126842394
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-pentyl-1,4-dihydroquinoline-3-carboxamide
CID 1894913

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carbohydrazide?
The IUPAC name of 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carbohydrazide (CID 718471) is 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carbohydrazide.
What is the SMILES notation for 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carbohydrazide?
The canonical SMILES for 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carbohydrazide is CCn1cc(C(=O)NN)c(=O)c2cc(F)c(N3CCCCC3)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carbohydrazide?
The InChIKey is WOJFJMQJNVFJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-2-21-10-12(17(24)20-19)16(23)11-8-13(18)15(9-14(11)21)22-6-4-3-5-7-22/h8-10H,2-7,19H2,1H3,(H,20,24).
What are the key properties of 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carbohydrazide?
1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carbohydrazide has a molecular weight of 332.38 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-4-oxo-7-piperidin-1-ylquinoline-3-carbohydrazide is sourced from PubChem (CID 718471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).