2-fluoro-4-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-ol

C18H16FNO3S — CID 150205231

IUPAC2-fluoro-4-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-ol
SMILESCc1c(Cc2ccc(S(C)(=O)=O)cc2)c(F)nc2cccc(O)c12
InChIInChI=1S/C18H16FNO3S/c1-11-14(10-12-6-8-13(9-7-12)24(2,22)23)18(19)20-15-4-3-5-16(21)17(11)15/h3-9,21H,10H2,1-2H3
InChIKeyFQINDMPAJGPFTJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.38
Rot. Bonds3

About 2-fluoro-4-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-ol

2-fluoro-4-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-ol (PubChem CID 150205231) has the molecular formula C18H16FNO3S and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-fluoro-4-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-ol.

Molecular Properties

Compound Name2-fluoro-4-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-ol
PubChem CID150205231
Molecular FormulaC18H16FNO3S
Molecular Weight345.40 g/mol
Exact Mass345.08
IUPAC Name2-fluoro-4-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-ol
SMILESCc1c(Cc2ccc(S(C)(=O)=O)cc2)c(F)nc2cccc(O)c12
InChIInChI=1S/C18H16FNO3S/c1-11-14(10-12-6-8-13(9-7-12)24(2,22)23)18(19)20-15-4-3-5-16(21)17(11)15/h3-9,21H,10H2,1-2H3
InChIKeyFQINDMPAJGPFTJ-UHFFFAOYSA-N
XLogP3.38
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-ol?
The IUPAC name of 2-fluoro-4-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-ol (CID 150205231) is 2-fluoro-4-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-ol.
What is the SMILES notation for 2-fluoro-4-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-ol?
The canonical SMILES for 2-fluoro-4-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-ol is Cc1c(Cc2ccc(S(C)(=O)=O)cc2)c(F)nc2cccc(O)c12.
What is the InChIKey of 2-fluoro-4-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-ol?
The InChIKey is FQINDMPAJGPFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3S/c1-11-14(10-12-6-8-13(9-7-12)24(2,22)23)18(19)20-15-4-3-5-16(21)17(11)15/h3-9,21H,10H2,1-2H3.
What are the key properties of 2-fluoro-4-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-ol?
2-fluoro-4-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-ol has a molecular weight of 345.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-ol is sourced from PubChem (CID 150205231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).