7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine

C15H18FN3O2S — CID 71871267

IUPAC7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2ccc3ccc(F)cc3n2)CC1
InChIInChI=1S/C15H18FN3O2S/c1-22(20,21)19-8-6-13(7-9-19)17-15-5-3-11-2-4-12(16)10-14(11)18-15/h2-5,10,13H,6-9H2,1H3,(H,17,18)
InChIKeyFZDIGGPAYGYRDY-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.21
Rot. Bonds3

About 7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine

7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine (PubChem CID 71871267) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine.

Molecular Properties

Compound Name7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine
PubChem CID71871267
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2ccc3ccc(F)cc3n2)CC1
InChIInChI=1S/C15H18FN3O2S/c1-22(20,21)19-8-6-13(7-9-19)17-15-5-3-11-2-4-12(16)10-14(11)18-15/h2-5,10,13H,6-9H2,1H3,(H,17,18)
InChIKeyFZDIGGPAYGYRDY-UHFFFAOYSA-N
XLogP2.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine?
The IUPAC name of 7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine (CID 71871267) is 7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine.
What is the SMILES notation for 7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine?
The canonical SMILES for 7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine is CS(=O)(=O)N1CCC(Nc2ccc3ccc(F)cc3n2)CC1.
What is the InChIKey of 7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine?
The InChIKey is FZDIGGPAYGYRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-22(20,21)19-8-6-13(7-9-19)17-15-5-3-11-2-4-12(16)10-14(11)18-15/h2-5,10,13H,6-9H2,1H3,(H,17,18).
What are the key properties of 7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine?
7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine has a molecular weight of 323.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine is sourced from PubChem (CID 71871267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).