N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-2-(furan-2-yl)quinoline-4-carbohydrazide

C25H22N4O4S — CID 55914668

IUPACN'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-2-(furan-2-yl)quinoline-4-carbohydrazide
SMILESO=C(CCC(=O)N1CCc2sccc2C1)NNC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C25H22N4O4S/c30-23(7-8-24(31)29-11-9-22-16(15-29)10-13-34-22)27-28-25(32)18-14-20(21-6-3-12-33-21)26-19-5-2-1-4-17(18)19/h1-6,10,12-14H,7-9,11,15H2,(H,27,30)(H,28,32)
InChIKeyHEBSQCNKGFQRQL-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.68
Rot. Bonds5

About N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-2-(furan-2-yl)quinoline-4-carbohydrazide

N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-2-(furan-2-yl)quinoline-4-carbohydrazide (PubChem CID 55914668) has the molecular formula C25H22N4O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-2-(furan-2-yl)quinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-2-(furan-2-yl)quinoline-4-carbohydrazide
PubChem CID55914668
Molecular FormulaC25H22N4O4S
Molecular Weight474.54 g/mol
Exact Mass474.14
IUPAC NameN'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-2-(furan-2-yl)quinoline-4-carbohydrazide
SMILESO=C(CCC(=O)N1CCc2sccc2C1)NNC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C25H22N4O4S/c30-23(7-8-24(31)29-11-9-22-16(15-29)10-13-34-22)27-28-25(32)18-14-20(21-6-3-12-33-21)26-19-5-2-1-4-17(18)19/h1-6,10,12-14H,7-9,11,15H2,(H,27,30)(H,28,32)
InChIKeyHEBSQCNKGFQRQL-UHFFFAOYSA-N
XLogP3.68
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-2-(furan-2-yl)quinoline-4-carbohydrazide with MolForge

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Related Compounds

2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide
CID 134051137
2-(furan-2-yl)-N'-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]quinoline-4-carbohydrazide
CID 60548629
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 42470155
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'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide
CID 55635239
N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 134029227
2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 78813275
2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide
CID 55495177
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide
CID 55624697
N'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 43011099
N'-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)quinoline-4-carbohydrazide
CID 2469170

Frequently Asked Questions

What is the IUPAC name of N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-2-(furan-2-yl)quinoline-4-carbohydrazide?
The IUPAC name of N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-2-(furan-2-yl)quinoline-4-carbohydrazide (CID 55914668) is N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-2-(furan-2-yl)quinoline-4-carbohydrazide.
What is the SMILES notation for N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-2-(furan-2-yl)quinoline-4-carbohydrazide?
The canonical SMILES for N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-2-(furan-2-yl)quinoline-4-carbohydrazide is O=C(CCC(=O)N1CCc2sccc2C1)NNC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-2-(furan-2-yl)quinoline-4-carbohydrazide?
The InChIKey is HEBSQCNKGFQRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S/c30-23(7-8-24(31)29-11-9-22-16(15-29)10-13-34-22)27-28-25(32)18-14-20(21-6-3-12-33-21)26-19-5-2-1-4-17(18)19/h1-6,10,12-14H,7-9,11,15H2,(H,27,30)(H,28,32).
What are the key properties of N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-2-(furan-2-yl)quinoline-4-carbohydrazide?
N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-2-(furan-2-yl)quinoline-4-carbohydrazide has a molecular weight of 474.54 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-2-(furan-2-yl)quinoline-4-carbohydrazide is sourced from PubChem (CID 55914668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).