2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide

C24H18N6O4 — CID 55624697

IUPAC2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide
SMILESO=C(CCc1nc(-c2cccnc2)no1)NNC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C24H18N6O4/c31-21(9-10-22-27-23(30-34-22)15-5-3-11-25-14-15)28-29-24(32)17-13-19(20-8-4-12-33-20)26-18-7-2-1-6-16(17)18/h1-8,11-14H,9-10H2,(H,28,31)(H,29,32)
InChIKeyDSIBQBTZKRHDAQ-UHFFFAOYSA-N
MW454.45 g/mol
LogP3.33
Rot. Bonds6

About 2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide

2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide (PubChem CID 55624697) has the molecular formula C24H18N6O4 and a molecular weight of 454.45 g/mol. Its IUPAC name is 2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide
PubChem CID55624697
Molecular FormulaC24H18N6O4
Molecular Weight454.45 g/mol
Exact Mass454.14
IUPAC Name2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide
SMILESO=C(CCc1nc(-c2cccnc2)no1)NNC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C24H18N6O4/c31-21(9-10-22-27-23(30-34-22)15-5-3-11-25-14-15)28-29-24(32)17-13-19(20-8-4-12-33-20)26-18-7-2-1-6-16(17)18/h1-8,11-14H,9-10H2,(H,28,31)(H,29,32)
InChIKeyDSIBQBTZKRHDAQ-UHFFFAOYSA-N
XLogP3.33
TPSA136.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide
CID 55495177
N'-[3-(2-hydroxyphenyl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide
CID 17496046
2-(furan-2-yl)-N'-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]quinoline-4-carbohydrazide
CID 60548629
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 8761958
N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 134029227
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide
CID 27670101
2-(furan-2-yl)-N'-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)quinoline-4-carbohydrazide
CID 55789537
1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide
CID 24532442
2-chloro-N-phenyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 86954732
2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide
CID 134051137
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55748204

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide?
The IUPAC name of 2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide (CID 55624697) is 2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide?
The canonical SMILES for 2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide is O=C(CCc1nc(-c2cccnc2)no1)NNC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide?
The InChIKey is DSIBQBTZKRHDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O4/c31-21(9-10-22-27-23(30-34-22)15-5-3-11-25-14-15)28-29-24(32)17-13-19(20-8-4-12-33-20)26-18-7-2-1-6-16(17)18/h1-8,11-14H,9-10H2,(H,28,31)(H,29,32).
What are the key properties of 2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide?
2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide has a molecular weight of 454.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide is sourced from PubChem (CID 55624697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).