2-[6-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3-pyridinyl]quinoline

C31H20N4OS — CID 141095880

IUPAC2-[6-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3-pyridinyl]quinoline
SMILESc1ccc(-c2nc(-c3ccco3)c(-c3cccs3)c(-c3ccc[nH]3)c2-c2ccc3ccccc3n2)nc1
InChIInChI=1S/C31H20N4OS/c1-2-9-21-20(8-1)14-15-23(34-21)28-27(22-11-5-17-32-22)29(26-13-7-19-37-26)31(25-12-6-18-36-25)35-30(28)24-10-3-4-16-33-24/h1-19,32H
InChIKeyBWHKDTMRYKFSLT-UHFFFAOYSA-N
MW496.60 g/mol
LogP8.34
Rot. Bonds5

About 2-[6-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3-pyridinyl]quinoline

2-[6-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3-pyridinyl]quinoline (PubChem CID 141095880) has the molecular formula C31H20N4OS and a molecular weight of 496.60 g/mol. Its IUPAC name is 2-[6-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3-pyridinyl]quinoline.

Molecular Properties

Compound Name2-[6-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3-pyridinyl]quinoline
PubChem CID141095880
Molecular FormulaC31H20N4OS
Molecular Weight496.60 g/mol
Exact Mass496.14
IUPAC Name2-[6-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3-pyridinyl]quinoline
SMILESc1ccc(-c2nc(-c3ccco3)c(-c3cccs3)c(-c3ccc[nH]3)c2-c2ccc3ccccc3n2)nc1
InChIInChI=1S/C31H20N4OS/c1-2-9-21-20(8-1)14-15-23(34-21)28-27(22-11-5-17-32-22)29(26-13-7-19-37-26)31(25-12-6-18-36-25)35-30(28)24-10-3-4-16-33-24/h1-19,32H
InChIKeyBWHKDTMRYKFSLT-UHFFFAOYSA-N
XLogP8.34
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.60
LogP ≤ 58.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3-pyridinyl]quinoline with MolForge

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Related Compounds

2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-2-ylpyridine
CID 44423803
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-3-ylpyridine
CID 44423806
3-(5-fluoro-1H-indol-3-yl)-1-(furan-2-ylmethyl)-2-oxothieno[2,3-b][1,4]thiazine-6-carboxamide
CID 176235094
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 4882423
N-(furan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
CID 4160799
8-(1-azabicyclo[2.2.2]octan-3-yl)-2-(thiophen-2-ylmethyl)-6H-pyrrolo[3,2-e][1,3]benzoxazole
CID 10155630
8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide
CID 11540204
8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-N-(furan-2-ylmethyl)-1,6-naphthyridine-2-carboxamide
CID 11604808
2-(furan-2-yl)-3-thiophen-2-yl-1H-pyrrole
CID 18788916
2-[3-(Furan-2-yl)-5-thiophen-2-yl-4-pyridinyl]quinoline
CID 54311171
2-[8-(Furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline
CID 54326698
2-[5-(3,4-diphenylthiophen-2-yl)furan-2-yl]-3,4-diphenyl-1H-pyrrole
CID 57660828

Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3-pyridinyl]quinoline?
The IUPAC name of 2-[6-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3-pyridinyl]quinoline (CID 141095880) is 2-[6-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3-pyridinyl]quinoline.
What is the SMILES notation for 2-[6-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3-pyridinyl]quinoline?
The canonical SMILES for 2-[6-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3-pyridinyl]quinoline is c1ccc(-c2nc(-c3ccco3)c(-c3cccs3)c(-c3ccc[nH]3)c2-c2ccc3ccccc3n2)nc1.
What is the InChIKey of 2-[6-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3-pyridinyl]quinoline?
The InChIKey is BWHKDTMRYKFSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N4OS/c1-2-9-21-20(8-1)14-15-23(34-21)28-27(22-11-5-17-32-22)29(26-13-7-19-37-26)31(25-12-6-18-36-25)35-30(28)24-10-3-4-16-33-24/h1-19,32H.
What are the key properties of 2-[6-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3-pyridinyl]quinoline?
2-[6-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3-pyridinyl]quinoline has a molecular weight of 496.60 g/mol, XLogP of 8.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3-pyridinyl]quinoline is sourced from PubChem (CID 141095880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).