6-fluoro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline

C22H23FN2O3S — CID 24785286

IUPAC6-fluoro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
SMILESCOc1cccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCC(C)CC2)c1
InChIInChI=1S/C22H23FN2O3S/c1-15-8-10-25(11-9-15)22-19-12-16(23)6-7-20(19)24-14-21(22)29(26,27)18-5-3-4-17(13-18)28-2/h3-7,12-15H,8-11H2,1-2H3
InChIKeyOKIHLJTWXKSSNO-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.45
Rot. Bonds4

About 6-fluoro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline

6-fluoro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline (PubChem CID 24785286) has the molecular formula C22H23FN2O3S and a molecular weight of 414.50 g/mol. Its IUPAC name is 6-fluoro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline.

Molecular Properties

Compound Name6-fluoro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
PubChem CID24785286
Molecular FormulaC22H23FN2O3S
Molecular Weight414.50 g/mol
Exact Mass414.14
IUPAC Name6-fluoro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
SMILESCOc1cccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCC(C)CC2)c1
InChIInChI=1S/C22H23FN2O3S/c1-15-8-10-25(11-9-15)22-19-12-16(23)6-7-20(19)24-14-21(22)29(26,27)18-5-3-4-17(13-18)28-2/h3-7,12-15H,8-11H2,1-2H3
InChIKeyOKIHLJTWXKSSNO-UHFFFAOYSA-N
XLogP4.45
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline?
The IUPAC name of 6-fluoro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline (CID 24785286) is 6-fluoro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline.
What is the SMILES notation for 6-fluoro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline?
The canonical SMILES for 6-fluoro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline is COc1cccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCC(C)CC2)c1.
What is the InChIKey of 6-fluoro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline?
The InChIKey is OKIHLJTWXKSSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3S/c1-15-8-10-25(11-9-15)22-19-12-16(23)6-7-20(19)24-14-21(22)29(26,27)18-5-3-4-17(13-18)28-2/h3-7,12-15H,8-11H2,1-2H3.
What are the key properties of 6-fluoro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline?
6-fluoro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline has a molecular weight of 414.50 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(3-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline is sourced from PubChem (CID 24785286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).