2-(furan-2-yl)-N'-(1-propylsulfonylpiperidine-3-carbonyl)quinoline-4-carbohydrazide

C23H26N4O5S — CID 55913391

IUPAC2-(furan-2-yl)-N'-(1-propylsulfonylpiperidine-3-carbonyl)quinoline-4-carbohydrazide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)C1
InChIInChI=1S/C23H26N4O5S/c1-2-13-33(30,31)27-11-5-7-16(15-27)22(28)25-26-23(29)18-14-20(21-10-6-12-32-21)24-19-9-4-3-8-17(18)19/h3-4,6,8-10,12,14,16H,2,5,7,11,13,15H2,1H3,(H,25,28)(H,26,29)
InChIKeyHFOLWERAXVNTDC-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.71
Rot. Bonds6

About 2-(furan-2-yl)-N'-(1-propylsulfonylpiperidine-3-carbonyl)quinoline-4-carbohydrazide

2-(furan-2-yl)-N'-(1-propylsulfonylpiperidine-3-carbonyl)quinoline-4-carbohydrazide (PubChem CID 55913391) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 2-(furan-2-yl)-N'-(1-propylsulfonylpiperidine-3-carbonyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(furan-2-yl)-N'-(1-propylsulfonylpiperidine-3-carbonyl)quinoline-4-carbohydrazide
PubChem CID55913391
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name2-(furan-2-yl)-N'-(1-propylsulfonylpiperidine-3-carbonyl)quinoline-4-carbohydrazide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)C1
InChIInChI=1S/C23H26N4O5S/c1-2-13-33(30,31)27-11-5-7-16(15-27)22(28)25-26-23(29)18-14-20(21-10-6-12-32-21)24-19-9-4-3-8-17(18)19/h3-4,6,8-10,12,14,16H,2,5,7,11,13,15H2,1H3,(H,25,28)(H,26,29)
InChIKeyHFOLWERAXVNTDC-UHFFFAOYSA-N
XLogP2.71
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-yl)-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]quinoline-4-carbohydrazide
CID 55789686
2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide
CID 55635239
N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
CID 55647051
N'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 43011099
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide
CID 134051137
2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 78813275
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2693378
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336
2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid
CID 3494841
N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55752735
N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 134029227

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N'-(1-propylsulfonylpiperidine-3-carbonyl)quinoline-4-carbohydrazide?
The IUPAC name of 2-(furan-2-yl)-N'-(1-propylsulfonylpiperidine-3-carbonyl)quinoline-4-carbohydrazide (CID 55913391) is 2-(furan-2-yl)-N'-(1-propylsulfonylpiperidine-3-carbonyl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(furan-2-yl)-N'-(1-propylsulfonylpiperidine-3-carbonyl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-(furan-2-yl)-N'-(1-propylsulfonylpiperidine-3-carbonyl)quinoline-4-carbohydrazide is CCCS(=O)(=O)N1CCCC(C(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)C1.
What is the InChIKey of 2-(furan-2-yl)-N'-(1-propylsulfonylpiperidine-3-carbonyl)quinoline-4-carbohydrazide?
The InChIKey is HFOLWERAXVNTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-2-13-33(30,31)27-11-5-7-16(15-27)22(28)25-26-23(29)18-14-20(21-10-6-12-32-21)24-19-9-4-3-8-17(18)19/h3-4,6,8-10,12,14,16H,2,5,7,11,13,15H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 2-(furan-2-yl)-N'-(1-propylsulfonylpiperidine-3-carbonyl)quinoline-4-carbohydrazide?
2-(furan-2-yl)-N'-(1-propylsulfonylpiperidine-3-carbonyl)quinoline-4-carbohydrazide has a molecular weight of 470.55 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N'-(1-propylsulfonylpiperidine-3-carbonyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 55913391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).