4-[1-(furan-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-1-quinolin-2-yl-5-thiophen-2-ylthiadiazol-4-yl]oxadiazole

C30H21N7O2S2 — CID 141167159

IUPAC4-[1-(furan-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-1-quinolin-2-yl-5-thiophen-2-ylthiadiazol-4-yl]oxadiazole
SMILESc1ccc(S2(c3ccc4ccccc4n3)(c3ccc[nH]3)(c3ccco3)N=NC(c3conn3)=C2c2cccs2)nc1
InChIInChI=1S/C30H21N7O2S2/c1-2-9-22-21(8-1)14-15-27(33-22)41(26-12-5-17-32-26,28-13-6-18-38-28,25-11-3-4-16-31-25)30(24-10-7-19-40-24)29(35-37-41)23-20-39-36-34-23/h1-20,32H
InChIKeyDYJFSNGPULMBIF-UHFFFAOYSA-N
MW575.68 g/mol
LogP8.31
Rot. Bonds6

About 4-[1-(furan-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-1-quinolin-2-yl-5-thiophen-2-ylthiadiazol-4-yl]oxadiazole

4-[1-(furan-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-1-quinolin-2-yl-5-thiophen-2-ylthiadiazol-4-yl]oxadiazole (PubChem CID 141167159) has the molecular formula C30H21N7O2S2 and a molecular weight of 575.68 g/mol. Its IUPAC name is 4-[1-(furan-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-1-quinolin-2-yl-5-thiophen-2-ylthiadiazol-4-yl]oxadiazole.

Molecular Properties

Compound Name4-[1-(furan-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-1-quinolin-2-yl-5-thiophen-2-ylthiadiazol-4-yl]oxadiazole
PubChem CID141167159
Molecular FormulaC30H21N7O2S2
Molecular Weight575.68 g/mol
Exact Mass575.12
IUPAC Name4-[1-(furan-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-1-quinolin-2-yl-5-thiophen-2-ylthiadiazol-4-yl]oxadiazole
SMILESc1ccc(S2(c3ccc4ccccc4n3)(c3ccc[nH]3)(c3ccco3)N=NC(c3conn3)=C2c2cccs2)nc1
InChIInChI=1S/C30H21N7O2S2/c1-2-9-22-21(8-1)14-15-27(33-22)41(26-12-5-17-32-26,28-13-6-18-38-28,25-11-3-4-16-31-25)30(24-10-7-19-40-24)29(35-37-41)23-20-39-36-34-23/h1-20,32H
InChIKeyDYJFSNGPULMBIF-UHFFFAOYSA-N
XLogP8.31
TPSA118.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.68
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[1-(furan-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-1-quinolin-2-yl-5-thiophen-2-ylthiadiazol-4-yl]oxadiazole with MolForge

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Related Compounds

4-[1-(furan-2-yl)-5-(1,2-oxazol-3-yl)-1-phenyl-1-(1H-pyrrol-2-yl)-1-thiophen-2-ylthiadiazol-4-yl]oxadiazole
CID 140974804
cyclopenta-1,3-diene;furan;1H-indole;pyridazine;tris(pyridine);quinoline;1,3-thiazole;thiophene
CID 158152067

Frequently Asked Questions

What is the IUPAC name of 4-[1-(furan-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-1-quinolin-2-yl-5-thiophen-2-ylthiadiazol-4-yl]oxadiazole?
The IUPAC name of 4-[1-(furan-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-1-quinolin-2-yl-5-thiophen-2-ylthiadiazol-4-yl]oxadiazole (CID 141167159) is 4-[1-(furan-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-1-quinolin-2-yl-5-thiophen-2-ylthiadiazol-4-yl]oxadiazole.
What is the SMILES notation for 4-[1-(furan-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-1-quinolin-2-yl-5-thiophen-2-ylthiadiazol-4-yl]oxadiazole?
The canonical SMILES for 4-[1-(furan-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-1-quinolin-2-yl-5-thiophen-2-ylthiadiazol-4-yl]oxadiazole is c1ccc(S2(c3ccc4ccccc4n3)(c3ccc[nH]3)(c3ccco3)N=NC(c3conn3)=C2c2cccs2)nc1.
What is the InChIKey of 4-[1-(furan-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-1-quinolin-2-yl-5-thiophen-2-ylthiadiazol-4-yl]oxadiazole?
The InChIKey is DYJFSNGPULMBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N7O2S2/c1-2-9-22-21(8-1)14-15-27(33-22)41(26-12-5-17-32-26,28-13-6-18-38-28,25-11-3-4-16-31-25)30(24-10-7-19-40-24)29(35-37-41)23-20-39-36-34-23/h1-20,32H.
What are the key properties of 4-[1-(furan-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-1-quinolin-2-yl-5-thiophen-2-ylthiadiazol-4-yl]oxadiazole?
4-[1-(furan-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-1-quinolin-2-yl-5-thiophen-2-ylthiadiazol-4-yl]oxadiazole has a molecular weight of 575.68 g/mol, XLogP of 8.31, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(furan-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-1-quinolin-2-yl-5-thiophen-2-ylthiadiazol-4-yl]oxadiazole is sourced from PubChem (CID 141167159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).