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

C24H24FN5O3 — CID 126842395

IUPAC7-(4-benzoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide
SMILESNNC(=O)c1cn(C2CC2)c2cc(N3CCN(C(=O)c4ccccc4)CC3)c(F)cc2c1=O
InChIInChI=1S/C24H24FN5O3/c25-19-12-17-20(30(16-6-7-16)14-18(22(17)31)23(32)27-26)13-21(19)28-8-10-29(11-9-28)24(33)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11,26H2,(H,27,32)
InChIKeyOQCZYBSOICBZNT-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.04
Rot. Bonds4

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

7-(4-benzoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide (PubChem CID 126842395) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is 7-(4-benzoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide.

Molecular Properties

Compound Name7-(4-benzoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide
PubChem CID126842395
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name7-(4-benzoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide
SMILESNNC(=O)c1cn(C2CC2)c2cc(N3CCN(C(=O)c4ccccc4)CC3)c(F)cc2c1=O
InChIInChI=1S/C24H24FN5O3/c25-19-12-17-20(30(16-6-7-16)14-18(22(17)31)23(32)27-26)13-21(19)28-8-10-29(11-9-28)24(33)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11,26H2,(H,27,32)
InChIKeyOQCZYBSOICBZNT-UHFFFAOYSA-N
XLogP2.04
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.04
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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Frequently Asked Questions

What is the IUPAC name of 7-(4-benzoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide?
The IUPAC name of 7-(4-benzoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide (CID 126842395) is 7-(4-benzoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide.
What is the SMILES notation for 7-(4-benzoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide?
The canonical SMILES for 7-(4-benzoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide is NNC(=O)c1cn(C2CC2)c2cc(N3CCN(C(=O)c4ccccc4)CC3)c(F)cc2c1=O.
What is the InChIKey of 7-(4-benzoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide?
The InChIKey is OQCZYBSOICBZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c25-19-12-17-20(30(16-6-7-16)14-18(22(17)31)23(32)27-26)13-21(19)28-8-10-29(11-9-28)24(33)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11,26H2,(H,27,32).
What are the key properties of 7-(4-benzoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide?
7-(4-benzoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide has a molecular weight of 449.49 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbohydrazide is sourced from PubChem (CID 126842395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).