2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide

C28H26N4O5 — CID 55635239

IUPAC2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C28H26N4O5/c33-26(18-37-20-7-2-1-3-8-20)32-14-12-19(13-15-32)27(34)30-31-28(35)22-17-24(25-11-6-16-36-25)29-23-10-5-4-9-21(22)23/h1-11,16-17,19H,12-15,18H2,(H,30,34)(H,31,35)
InChIKeyZXCYNNFTWRQVAM-UHFFFAOYSA-N
MW498.54 g/mol
LogP3.57
Rot. Bonds6

About 2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide

2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide (PubChem CID 55635239) has the molecular formula C28H26N4O5 and a molecular weight of 498.54 g/mol. Its IUPAC name is 2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide
PubChem CID55635239
Molecular FormulaC28H26N4O5
Molecular Weight498.54 g/mol
Exact Mass498.19
IUPAC Name2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C28H26N4O5/c33-26(18-37-20-7-2-1-3-8-20)32-14-12-19(13-15-32)27(34)30-31-28(35)22-17-24(25-11-6-16-36-25)29-23-10-5-4-9-21(22)23/h1-11,16-17,19H,12-15,18H2,(H,30,34)(H,31,35)
InChIKeyZXCYNNFTWRQVAM-UHFFFAOYSA-N
XLogP3.57
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2089799
2-(furan-2-yl)-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]quinoline-4-carbohydrazide
CID 55789686
[1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 41308568
2-(furan-2-yl)-N'-(1-propylsulfonylpiperidine-3-carbonyl)quinoline-4-carbohydrazide
CID 55913391
(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride
CID 119375996
N'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide
CID 55634294
N'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide
CID 55631373
N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide
CID 6598868
2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide
CID 134051137
4-[[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide
CID 55792276
1-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 8742136
N'-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)quinoline-4-carbohydrazide
CID 2469170

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide?
The IUPAC name of 2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide (CID 55635239) is 2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide?
The canonical SMILES for 2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide is O=C(NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide?
The InChIKey is ZXCYNNFTWRQVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O5/c33-26(18-37-20-7-2-1-3-8-20)32-14-12-19(13-15-32)27(34)30-31-28(35)22-17-24(25-11-6-16-36-25)29-23-10-5-4-9-21(22)23/h1-11,16-17,19H,12-15,18H2,(H,30,34)(H,31,35).
What are the key properties of 2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide?
2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide has a molecular weight of 498.54 g/mol, XLogP of 3.57, 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-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide is sourced from PubChem (CID 55635239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).