4-(1-benzofuran-5-yl)-2-(1-benzothiophen-3-yl)-6-(furan-2-yl)-5-thiophen-2-ylquinoline

C33H19NO2S2 — CID 173144882

IUPAC4-(1-benzofuran-5-yl)-2-(1-benzothiophen-3-yl)-6-(furan-2-yl)-5-thiophen-2-ylquinoline
SMILESc1coc(-c2ccc3nc(-c4csc5ccccc45)cc(-c4ccc5occc5c4)c3c2-c2cccs2)c1
InChIInChI=1S/C33H19NO2S2/c1-2-7-30-22(5-1)25(19-38-30)27-18-24(20-9-12-28-21(17-20)13-15-36-28)32-26(34-27)11-10-23(29-6-3-14-35-29)33(32)31-8-4-16-37-31/h1-19H
InChIKeyVQCBGIVSQCSBJS-UHFFFAOYSA-N
MW525.65 g/mol
LogP10.52
Rot. Bonds4

About 4-(1-benzofuran-5-yl)-2-(1-benzothiophen-3-yl)-6-(furan-2-yl)-5-thiophen-2-ylquinoline

4-(1-benzofuran-5-yl)-2-(1-benzothiophen-3-yl)-6-(furan-2-yl)-5-thiophen-2-ylquinoline (PubChem CID 173144882) has the molecular formula C33H19NO2S2 and a molecular weight of 525.65 g/mol. Its IUPAC name is 4-(1-benzofuran-5-yl)-2-(1-benzothiophen-3-yl)-6-(furan-2-yl)-5-thiophen-2-ylquinoline.

Molecular Properties

Compound Name4-(1-benzofuran-5-yl)-2-(1-benzothiophen-3-yl)-6-(furan-2-yl)-5-thiophen-2-ylquinoline
PubChem CID173144882
Molecular FormulaC33H19NO2S2
Molecular Weight525.65 g/mol
Exact Mass525.09
IUPAC Name4-(1-benzofuran-5-yl)-2-(1-benzothiophen-3-yl)-6-(furan-2-yl)-5-thiophen-2-ylquinoline
SMILESc1coc(-c2ccc3nc(-c4csc5ccccc45)cc(-c4ccc5occc5c4)c3c2-c2cccs2)c1
InChIInChI=1S/C33H19NO2S2/c1-2-7-30-22(5-1)25(19-38-30)27-18-24(20-9-12-28-21(17-20)13-15-36-28)32-26(34-27)11-10-23(29-6-3-14-35-29)33(32)31-8-4-16-37-31/h1-19H
InChIKeyVQCBGIVSQCSBJS-UHFFFAOYSA-N
XLogP10.52
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-5-yl)-2-(1-benzothiophen-3-yl)-6-(furan-2-yl)-5-thiophen-2-ylquinoline?
The IUPAC name of 4-(1-benzofuran-5-yl)-2-(1-benzothiophen-3-yl)-6-(furan-2-yl)-5-thiophen-2-ylquinoline (CID 173144882) is 4-(1-benzofuran-5-yl)-2-(1-benzothiophen-3-yl)-6-(furan-2-yl)-5-thiophen-2-ylquinoline.
What is the SMILES notation for 4-(1-benzofuran-5-yl)-2-(1-benzothiophen-3-yl)-6-(furan-2-yl)-5-thiophen-2-ylquinoline?
The canonical SMILES for 4-(1-benzofuran-5-yl)-2-(1-benzothiophen-3-yl)-6-(furan-2-yl)-5-thiophen-2-ylquinoline is c1coc(-c2ccc3nc(-c4csc5ccccc45)cc(-c4ccc5occc5c4)c3c2-c2cccs2)c1.
What is the InChIKey of 4-(1-benzofuran-5-yl)-2-(1-benzothiophen-3-yl)-6-(furan-2-yl)-5-thiophen-2-ylquinoline?
The InChIKey is VQCBGIVSQCSBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19NO2S2/c1-2-7-30-22(5-1)25(19-38-30)27-18-24(20-9-12-28-21(17-20)13-15-36-28)32-26(34-27)11-10-23(29-6-3-14-35-29)33(32)31-8-4-16-37-31/h1-19H.
What are the key properties of 4-(1-benzofuran-5-yl)-2-(1-benzothiophen-3-yl)-6-(furan-2-yl)-5-thiophen-2-ylquinoline?
4-(1-benzofuran-5-yl)-2-(1-benzothiophen-3-yl)-6-(furan-2-yl)-5-thiophen-2-ylquinoline has a molecular weight of 525.65 g/mol, XLogP of 10.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-5-yl)-2-(1-benzothiophen-3-yl)-6-(furan-2-yl)-5-thiophen-2-ylquinoline is sourced from PubChem (CID 173144882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).