1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbohydrazide

C17H22FN5O2 — CID 919346

IUPAC1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbohydrazide
SMILESCCn1cc(C(=O)NN)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21
InChIInChI=1S/C17H22FN5O2/c1-3-22-10-12(17(25)20-19)16(24)11-8-13(18)15(9-14(11)22)23-6-4-21(2)5-7-23/h8-10H,3-7,19H2,1-2H3,(H,20,25)
InChIKeyBSSGBHXBTYFRSG-UHFFFAOYSA-N
MW347.39 g/mol
LogP0.52
Rot. Bonds3

About 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbohydrazide

1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbohydrazide (PubChem CID 919346) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbohydrazide
PubChem CID919346
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbohydrazide
SMILESCCn1cc(C(=O)NN)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21
InChIInChI=1S/C17H22FN5O2/c1-3-22-10-12(17(25)20-19)16(24)11-8-13(18)15(9-14(11)22)23-6-4-21(2)5-7-23/h8-10H,3-7,19H2,1-2H3,(H,20,25)
InChIKeyBSSGBHXBTYFRSG-UHFFFAOYSA-N
XLogP0.52
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Amifloxacin
CID 55492
6-Fluoro-7-(piperazin-1-yl)-9-cyclopropylisothiazolo[5,4-b]quinoline-3,4(2H,9H)-dione
CID 10406223
1-Ethyl-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carbohydrazide
CID 627579
1-Ethyl-6-fluoro-4-oxo-7-piperidin-1-yl-1,4-dihydroquinoline-3-carbohydrazide
CID 718471
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
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbohydrazide?
The IUPAC name of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbohydrazide (CID 919346) is 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbohydrazide.
What is the SMILES notation for 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbohydrazide?
The canonical SMILES for 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbohydrazide is CCn1cc(C(=O)NN)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbohydrazide?
The InChIKey is BSSGBHXBTYFRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-3-22-10-12(17(25)20-19)16(24)11-8-13(18)15(9-14(11)22)23-6-4-21(2)5-7-23/h8-10H,3-7,19H2,1-2H3,(H,20,25).
What are the key properties of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbohydrazide?
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbohydrazide has a molecular weight of 347.39 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbohydrazide is sourced from PubChem (CID 919346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).