8-fluoro-2-(2-methylsulfonylphenyl)-3-propan-2-ylquinoline

C19H18FNO2S — CID 130419024

IUPAC8-fluoro-2-(2-methylsulfonylphenyl)-3-propan-2-ylquinoline
SMILESCC(C)c1cc2cccc(F)c2nc1-c1ccccc1S(C)(=O)=O
InChIInChI=1S/C19H18FNO2S/c1-12(2)15-11-13-7-6-9-16(20)18(13)21-19(15)14-8-4-5-10-17(14)24(3,22)23/h4-12H,1-3H3
InChIKeyXOMLUBCMGIPMKL-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.57
Rot. Bonds3

About 8-fluoro-2-(2-methylsulfonylphenyl)-3-propan-2-ylquinoline

8-fluoro-2-(2-methylsulfonylphenyl)-3-propan-2-ylquinoline (PubChem CID 130419024) has the molecular formula C19H18FNO2S and a molecular weight of 343.42 g/mol. Its IUPAC name is 8-fluoro-2-(2-methylsulfonylphenyl)-3-propan-2-ylquinoline.

Molecular Properties

Compound Name8-fluoro-2-(2-methylsulfonylphenyl)-3-propan-2-ylquinoline
PubChem CID130419024
Molecular FormulaC19H18FNO2S
Molecular Weight343.42 g/mol
Exact Mass343.10
IUPAC Name8-fluoro-2-(2-methylsulfonylphenyl)-3-propan-2-ylquinoline
SMILESCC(C)c1cc2cccc(F)c2nc1-c1ccccc1S(C)(=O)=O
InChIInChI=1S/C19H18FNO2S/c1-12(2)15-11-13-7-6-9-16(20)18(13)21-19(15)14-8-4-5-10-17(14)24(3,22)23/h4-12H,1-3H3
InChIKeyXOMLUBCMGIPMKL-UHFFFAOYSA-N
XLogP4.57
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(2-methylsulfonylphenyl)-3-propan-2-ylquinoline?
The IUPAC name of 8-fluoro-2-(2-methylsulfonylphenyl)-3-propan-2-ylquinoline (CID 130419024) is 8-fluoro-2-(2-methylsulfonylphenyl)-3-propan-2-ylquinoline.
What is the SMILES notation for 8-fluoro-2-(2-methylsulfonylphenyl)-3-propan-2-ylquinoline?
The canonical SMILES for 8-fluoro-2-(2-methylsulfonylphenyl)-3-propan-2-ylquinoline is CC(C)c1cc2cccc(F)c2nc1-c1ccccc1S(C)(=O)=O.
What is the InChIKey of 8-fluoro-2-(2-methylsulfonylphenyl)-3-propan-2-ylquinoline?
The InChIKey is XOMLUBCMGIPMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2S/c1-12(2)15-11-13-7-6-9-16(20)18(13)21-19(15)14-8-4-5-10-17(14)24(3,22)23/h4-12H,1-3H3.
What are the key properties of 8-fluoro-2-(2-methylsulfonylphenyl)-3-propan-2-ylquinoline?
8-fluoro-2-(2-methylsulfonylphenyl)-3-propan-2-ylquinoline has a molecular weight of 343.42 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(2-methylsulfonylphenyl)-3-propan-2-ylquinoline is sourced from PubChem (CID 130419024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).