2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(6-methyl-2-phenylquinolin-4-yl)ethanone;tritiosulfanylmethane

C25H21N3O3S — CID 163542844

IUPAC2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(6-methyl-2-phenylquinolin-4-yl)ethanone;tritiosulfanylmethane
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)Cc3nnc(-c4ccco4)o3)c2c1.[3H]SC
InChIInChI=1S/C24H17N3O3.CH4S/c1-15-9-10-19-17(12-15)18(13-20(25-19)16-6-3-2-4-7-16)21(28)14-23-26-27-24(30-23)22-8-5-11-29-22;1-2/h2-13H,14H2,1H3;2H,1H3/i/hT
InChIKeyFCOSVFFZKLDJGD-MNYXATJNSA-N
MW445.54 g/mol
LogP5.82
Rot. Bonds5

About 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(6-methyl-2-phenylquinolin-4-yl)ethanone;tritiosulfanylmethane

2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(6-methyl-2-phenylquinolin-4-yl)ethanone;tritiosulfanylmethane (PubChem CID 163542844) has the molecular formula C25H21N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(6-methyl-2-phenylquinolin-4-yl)ethanone;tritiosulfanylmethane.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(6-methyl-2-phenylquinolin-4-yl)ethanone;tritiosulfanylmethane
PubChem CID163542844
Molecular FormulaC25H21N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.14
IUPAC Name2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(6-methyl-2-phenylquinolin-4-yl)ethanone;tritiosulfanylmethane
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)Cc3nnc(-c4ccco4)o3)c2c1.[3H]SC
InChIInChI=1S/C24H17N3O3.CH4S/c1-15-9-10-19-17(12-15)18(13-20(25-19)16-6-3-2-4-7-16)21(28)14-23-26-27-24(30-23)22-8-5-11-29-22;1-2/h2-13H,14H2,1H3;2H,1H3/i/hT
InChIKeyFCOSVFFZKLDJGD-MNYXATJNSA-N
XLogP5.82
TPSA82.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(6-methyl-2-phenylquinolin-4-yl)ethanone;tritiosulfanylmethane 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-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 168527201
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide
CID 67204691
2-(furan-2-yl)-N'-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]quinoline-4-carbohydrazide
CID 60548629
2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1-(3-methylphenyl)ethanone
CID 159955137
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(3-hydroxyphenyl)quinoline-4-carboxamide
CID 67204238
N,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4522233
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4744706
N-ethoxy-6-methyl-2-phenylquinoline-4-carboxamide
CID 31098936
6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide
CID 3165781
2-(furan-2-yl)-6-methyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 42749836
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2647320

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(6-methyl-2-phenylquinolin-4-yl)ethanone;tritiosulfanylmethane?
The IUPAC name of 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(6-methyl-2-phenylquinolin-4-yl)ethanone;tritiosulfanylmethane (CID 163542844) is 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(6-methyl-2-phenylquinolin-4-yl)ethanone;tritiosulfanylmethane.
What is the SMILES notation for 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(6-methyl-2-phenylquinolin-4-yl)ethanone;tritiosulfanylmethane?
The canonical SMILES for 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(6-methyl-2-phenylquinolin-4-yl)ethanone;tritiosulfanylmethane is Cc1ccc2nc(-c3ccccc3)cc(C(=O)Cc3nnc(-c4ccco4)o3)c2c1.[3H]SC.
What is the InChIKey of 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(6-methyl-2-phenylquinolin-4-yl)ethanone;tritiosulfanylmethane?
The InChIKey is FCOSVFFZKLDJGD-MNYXATJNSA-N. The full InChI is InChI=1S/C24H17N3O3.CH4S/c1-15-9-10-19-17(12-15)18(13-20(25-19)16-6-3-2-4-7-16)21(28)14-23-26-27-24(30-23)22-8-5-11-29-22;1-2/h2-13H,14H2,1H3;2H,1H3/i/hT.
What are the key properties of 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(6-methyl-2-phenylquinolin-4-yl)ethanone;tritiosulfanylmethane?
2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(6-methyl-2-phenylquinolin-4-yl)ethanone;tritiosulfanylmethane has a molecular weight of 445.54 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(6-methyl-2-phenylquinolin-4-yl)ethanone;tritiosulfanylmethane is sourced from PubChem (CID 163542844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).