2-[3-(furan-2-yl)-5-thiophen-2-yl-4-pyridinyl]quinoline

C22H14N2OS — CID 54311171

IUPAC2-[3-(furan-2-yl)-5-thiophen-2-yl-4-pyridinyl]quinoline
SMILESc1coc(-c2cncc(-c3cccs3)c2-c2ccc3ccccc3n2)c1
InChIInChI=1S/C22H14N2OS/c1-2-6-18-15(5-1)9-10-19(24-18)22-16(20-7-3-11-25-20)13-23-14-17(22)21-8-4-12-26-21/h1-14H
InChIKeyHCZGQMPGJCGXFR-UHFFFAOYSA-N
MW354.43 g/mol
LogP6.29
Rot. Bonds3

About 2-[3-(furan-2-yl)-5-thiophen-2-yl-4-pyridinyl]quinoline

2-[3-(furan-2-yl)-5-thiophen-2-yl-4-pyridinyl]quinoline (PubChem CID 54311171) has the molecular formula C22H14N2OS and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-5-thiophen-2-yl-4-pyridinyl]quinoline.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-5-thiophen-2-yl-4-pyridinyl]quinoline
PubChem CID54311171
Molecular FormulaC22H14N2OS
Molecular Weight354.43 g/mol
Exact Mass354.08
IUPAC Name2-[3-(furan-2-yl)-5-thiophen-2-yl-4-pyridinyl]quinoline
SMILESc1coc(-c2cncc(-c3cccs3)c2-c2ccc3ccccc3n2)c1
InChIInChI=1S/C22H14N2OS/c1-2-6-18-15(5-1)9-10-19(24-18)22-16(20-7-3-11-25-20)13-23-14-17(22)21-8-4-12-26-21/h1-14H
InChIKeyHCZGQMPGJCGXFR-UHFFFAOYSA-N
XLogP6.29
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.43
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-5-thiophen-2-yl-4-pyridinyl]quinoline?
The IUPAC name of 2-[3-(furan-2-yl)-5-thiophen-2-yl-4-pyridinyl]quinoline (CID 54311171) is 2-[3-(furan-2-yl)-5-thiophen-2-yl-4-pyridinyl]quinoline.
What is the SMILES notation for 2-[3-(furan-2-yl)-5-thiophen-2-yl-4-pyridinyl]quinoline?
The canonical SMILES for 2-[3-(furan-2-yl)-5-thiophen-2-yl-4-pyridinyl]quinoline is c1coc(-c2cncc(-c3cccs3)c2-c2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[3-(furan-2-yl)-5-thiophen-2-yl-4-pyridinyl]quinoline?
The InChIKey is HCZGQMPGJCGXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2OS/c1-2-6-18-15(5-1)9-10-19(24-18)22-16(20-7-3-11-25-20)13-23-14-17(22)21-8-4-12-26-21/h1-14H.
What are the key properties of 2-[3-(furan-2-yl)-5-thiophen-2-yl-4-pyridinyl]quinoline?
2-[3-(furan-2-yl)-5-thiophen-2-yl-4-pyridinyl]quinoline has a molecular weight of 354.43 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-5-thiophen-2-yl-4-pyridinyl]quinoline is sourced from PubChem (CID 54311171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).