5-(furan-2-yl)-3-pyridin-2-yl-1-quinolin-2-yl-4-thiophen-2-ylisoquinoline

C31H19N3OS — CID 141093869

IUPAC5-(furan-2-yl)-3-pyridin-2-yl-1-quinolin-2-yl-4-thiophen-2-ylisoquinoline
SMILESc1ccc(-c2nc(-c3ccc4ccccc4n3)c3cccc(-c4ccco4)c3c2-c2cccs2)nc1
InChIInChI=1S/C31H19N3OS/c1-2-11-23-20(8-1)15-16-25(33-23)30-22-10-5-9-21(26-13-6-18-35-26)28(22)29(27-14-7-19-36-27)31(34-30)24-12-3-4-17-32-24/h1-19H
InChIKeyUSYXEPPCPCBNPX-UHFFFAOYSA-N
MW481.58 g/mol
LogP8.50
Rot. Bonds4

About 5-(furan-2-yl)-3-pyridin-2-yl-1-quinolin-2-yl-4-thiophen-2-ylisoquinoline

5-(furan-2-yl)-3-pyridin-2-yl-1-quinolin-2-yl-4-thiophen-2-ylisoquinoline (PubChem CID 141093869) has the molecular formula C31H19N3OS and a molecular weight of 481.58 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-pyridin-2-yl-1-quinolin-2-yl-4-thiophen-2-ylisoquinoline.

Molecular Properties

Compound Name5-(furan-2-yl)-3-pyridin-2-yl-1-quinolin-2-yl-4-thiophen-2-ylisoquinoline
PubChem CID141093869
Molecular FormulaC31H19N3OS
Molecular Weight481.58 g/mol
Exact Mass481.12
IUPAC Name5-(furan-2-yl)-3-pyridin-2-yl-1-quinolin-2-yl-4-thiophen-2-ylisoquinoline
SMILESc1ccc(-c2nc(-c3ccc4ccccc4n3)c3cccc(-c4ccco4)c3c2-c2cccs2)nc1
InChIInChI=1S/C31H19N3OS/c1-2-11-23-20(8-1)15-16-25(33-23)30-22-10-5-9-21(26-13-6-18-35-26)28(22)29(27-14-7-19-36-27)31(34-30)24-12-3-4-17-32-24/h1-19H
InChIKeyUSYXEPPCPCBNPX-UHFFFAOYSA-N
XLogP8.50
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.58
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(furan-2-yl)-3-pyridin-2-yl-1-quinolin-2-yl-4-thiophen-2-ylisoquinoline 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
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
2-(5-Chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-2-ylpyridine
CID 46229630
4-(Furan-3-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline
CID 118719751
13-(Furan-2-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene
CID 11360115
N-[4-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide
CID 44526990
Dibenzothiophen-4-yl-[4-(furan-3-yl)-8-(trifluoromethyl)quinolin-3-yl]methanone
CID 71739621
(2-Furylmethyl)(isoquinolin-5-ylmethyl)(3-thienylmethyl)amine
CID 46983737

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-pyridin-2-yl-1-quinolin-2-yl-4-thiophen-2-ylisoquinoline?
The IUPAC name of 5-(furan-2-yl)-3-pyridin-2-yl-1-quinolin-2-yl-4-thiophen-2-ylisoquinoline (CID 141093869) is 5-(furan-2-yl)-3-pyridin-2-yl-1-quinolin-2-yl-4-thiophen-2-ylisoquinoline.
What is the SMILES notation for 5-(furan-2-yl)-3-pyridin-2-yl-1-quinolin-2-yl-4-thiophen-2-ylisoquinoline?
The canonical SMILES for 5-(furan-2-yl)-3-pyridin-2-yl-1-quinolin-2-yl-4-thiophen-2-ylisoquinoline is c1ccc(-c2nc(-c3ccc4ccccc4n3)c3cccc(-c4ccco4)c3c2-c2cccs2)nc1.
What is the InChIKey of 5-(furan-2-yl)-3-pyridin-2-yl-1-quinolin-2-yl-4-thiophen-2-ylisoquinoline?
The InChIKey is USYXEPPCPCBNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3OS/c1-2-11-23-20(8-1)15-16-25(33-23)30-22-10-5-9-21(26-13-6-18-35-26)28(22)29(27-14-7-19-36-27)31(34-30)24-12-3-4-17-32-24/h1-19H.
What are the key properties of 5-(furan-2-yl)-3-pyridin-2-yl-1-quinolin-2-yl-4-thiophen-2-ylisoquinoline?
5-(furan-2-yl)-3-pyridin-2-yl-1-quinolin-2-yl-4-thiophen-2-ylisoquinoline has a molecular weight of 481.58 g/mol, XLogP of 8.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-pyridin-2-yl-1-quinolin-2-yl-4-thiophen-2-ylisoquinoline is sourced from PubChem (CID 141093869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).