7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-hydroxy-4-oxoquinoline-3-carboxamide

C19H21FN4O4 — CID 126842384

IUPAC7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-hydroxy-4-oxoquinoline-3-carboxamide
SMILESCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NO)cn3C2CC2)CC1
InChIInChI=1S/C19H21FN4O4/c1-11(25)22-4-6-23(7-5-22)17-9-16-13(8-15(17)20)18(26)14(19(27)21-28)10-24(16)12-2-3-12/h8-10,12,28H,2-7H2,1H3,(H,21,27)
InChIKeySUMIHSMKWQVZDC-UHFFFAOYSA-N
MW388.40 g/mol
LogP1.26
Rot. Bonds3

About 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-hydroxy-4-oxoquinoline-3-carboxamide

7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-hydroxy-4-oxoquinoline-3-carboxamide (PubChem CID 126842384) has the molecular formula C19H21FN4O4 and a molecular weight of 388.40 g/mol. Its IUPAC name is 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-hydroxy-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-hydroxy-4-oxoquinoline-3-carboxamide
PubChem CID126842384
Molecular FormulaC19H21FN4O4
Molecular Weight388.40 g/mol
Exact Mass388.15
IUPAC Name7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-hydroxy-4-oxoquinoline-3-carboxamide
SMILESCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NO)cn3C2CC2)CC1
InChIInChI=1S/C19H21FN4O4/c1-11(25)22-4-6-23(7-5-22)17-9-16-13(8-15(17)20)18(26)14(19(27)21-28)10-24(16)12-2-3-12/h8-10,12,28H,2-7H2,1H3,(H,21,27)
InChIKeySUMIHSMKWQVZDC-UHFFFAOYSA-N
XLogP1.26
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-hydroxy-4-oxoquinoline-3-carboxamide with MolForge

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Related Compounds

7-(4-Acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 3684314
6-Fluoro-7-(piperazin-1-yl)-9-cyclopropylisothiazolo[5,4-b]quinoline-3,4(2H,9H)-dione
CID 10406223
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
Quinolone-based HDAC inhibitor 4b
CID 131953858
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
1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-[4-(1-oxopropyl)-1-piperazinyl]-3-quinolinecarboxylic acid
CID 13340181
7-(4-Butanoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 13340182
1-Cyclopropyl-6-fluoro-4-oxo-7-(4-pentanoylpiperazin-1-yl)quinoline-3-carboxylic acid
CID 45337827
1-Cyclopropyl-6-fluoro-7-(4-heptanoylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 45482303

Frequently Asked Questions

What is the IUPAC name of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-hydroxy-4-oxoquinoline-3-carboxamide?
The IUPAC name of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-hydroxy-4-oxoquinoline-3-carboxamide (CID 126842384) is 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-hydroxy-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-hydroxy-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-hydroxy-4-oxoquinoline-3-carboxamide is CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NO)cn3C2CC2)CC1.
What is the InChIKey of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-hydroxy-4-oxoquinoline-3-carboxamide?
The InChIKey is SUMIHSMKWQVZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4/c1-11(25)22-4-6-23(7-5-22)17-9-16-13(8-15(17)20)18(26)14(19(27)21-28)10-24(16)12-2-3-12/h8-10,12,28H,2-7H2,1H3,(H,21,27).
What are the key properties of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-hydroxy-4-oxoquinoline-3-carboxamide?
7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-N-hydroxy-4-oxoquinoline-3-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 1.26, 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-N-hydroxy-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 126842384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).