7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide

C19H22FN5O3 — CID 126842394

IUPAC7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide
SMILESCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NN)cn3C2CC2)CC1
InChIInChI=1S/C19H22FN5O3/c1-11(26)23-4-6-24(7-5-23)17-9-16-13(8-15(17)20)18(27)14(19(28)22-21)10-25(16)12-2-3-12/h8-10,12H,2-7,21H2,1H3,(H,22,28)
InChIKeyOFIYSEZTSKZNTP-UHFFFAOYSA-N
MW387.42 g/mol
LogP0.75
Rot. Bonds3

About 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide

7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide (PubChem CID 126842394) has the molecular formula C19H22FN5O3 and a molecular weight of 387.42 g/mol. Its IUPAC name is 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide.

Molecular Properties

Compound Name7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide
PubChem CID126842394
Molecular FormulaC19H22FN5O3
Molecular Weight387.42 g/mol
Exact Mass387.17
IUPAC Name7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide
SMILESCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NN)cn3C2CC2)CC1
InChIInChI=1S/C19H22FN5O3/c1-11(26)23-4-6-24(7-5-23)17-9-16-13(8-15(17)20)18(27)14(19(28)22-21)10-25(16)12-2-3-12/h8-10,12H,2-7,21H2,1H3,(H,22,28)
InChIKeyOFIYSEZTSKZNTP-UHFFFAOYSA-N
XLogP0.75
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 50.75
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

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-(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
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
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 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide?
The IUPAC name of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide (CID 126842394) is 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide.
What is the SMILES notation for 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide?
The canonical SMILES for 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide is CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NN)cn3C2CC2)CC1.
What is the InChIKey of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide?
The InChIKey is OFIYSEZTSKZNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O3/c1-11(26)23-4-6-24(7-5-23)17-9-16-13(8-15(17)20)18(27)14(19(28)22-21)10-25(16)12-2-3-12/h8-10,12H,2-7,21H2,1H3,(H,22,28).
What are the key properties of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide?
7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide has a molecular weight of 387.42 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide is sourced from PubChem (CID 126842394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).