8-[3-(5-chlorothiophen-2-yl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline

C23H20ClNO2S2 — CID 10478502

IUPAC8-[3-(5-chlorothiophen-2-yl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline
SMILESCC(C)(c1cc(-c2cccc(-c3ccc(Cl)s3)c2)c2ncccc2c1)S(C)(=O)=O
InChIInChI=1S/C23H20ClNO2S2/c1-23(2,29(3,26)27)18-13-17-8-5-11-25-22(17)19(14-18)15-6-4-7-16(12-15)20-9-10-21(24)28-20/h4-14H,1-3H3
InChIKeyQBZNJVMHQKFVGK-UHFFFAOYSA-N
MW442.01 g/mol
LogP6.56
Rot. Bonds4

About 8-[3-(5-chlorothiophen-2-yl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline

8-[3-(5-chlorothiophen-2-yl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline (PubChem CID 10478502) has the molecular formula C23H20ClNO2S2 and a molecular weight of 442.01 g/mol. Its IUPAC name is 8-[3-(5-chlorothiophen-2-yl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline.

Molecular Properties

Compound Name8-[3-(5-chlorothiophen-2-yl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline
PubChem CID10478502
Molecular FormulaC23H20ClNO2S2
Molecular Weight442.01 g/mol
Exact Mass441.06
IUPAC Name8-[3-(5-chlorothiophen-2-yl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline
SMILESCC(C)(c1cc(-c2cccc(-c3ccc(Cl)s3)c2)c2ncccc2c1)S(C)(=O)=O
InChIInChI=1S/C23H20ClNO2S2/c1-23(2,29(3,26)27)18-13-17-8-5-11-25-22(17)19(14-18)15-6-4-7-16(12-15)20-9-10-21(24)28-20/h4-14H,1-3H3
InChIKeyQBZNJVMHQKFVGK-UHFFFAOYSA-N
XLogP6.56
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.01
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(5-chlorothiophen-2-yl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline?
The IUPAC name of 8-[3-(5-chlorothiophen-2-yl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline (CID 10478502) is 8-[3-(5-chlorothiophen-2-yl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline.
What is the SMILES notation for 8-[3-(5-chlorothiophen-2-yl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline?
The canonical SMILES for 8-[3-(5-chlorothiophen-2-yl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline is CC(C)(c1cc(-c2cccc(-c3ccc(Cl)s3)c2)c2ncccc2c1)S(C)(=O)=O.
What is the InChIKey of 8-[3-(5-chlorothiophen-2-yl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline?
The InChIKey is QBZNJVMHQKFVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO2S2/c1-23(2,29(3,26)27)18-13-17-8-5-11-25-22(17)19(14-18)15-6-4-7-16(12-15)20-9-10-21(24)28-20/h4-14H,1-3H3.
What are the key properties of 8-[3-(5-chlorothiophen-2-yl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline?
8-[3-(5-chlorothiophen-2-yl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline has a molecular weight of 442.01 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(5-chlorothiophen-2-yl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline is sourced from PubChem (CID 10478502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).