N-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide

C23H28FN3O5S — CID 46889013

IUPACN-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)ccc1F
InChIInChI=1S/C23H28FN3O5S/c1-33(29,30)26-22-14-18(5-6-20(22)24)31-13-12-27-10-8-17(9-11-27)32-19-4-2-16-3-7-23(28)25-21(16)15-19/h2,4-6,14-15,17,26H,3,7-13H2,1H3,(H,25,28)
InChIKeyPKONVMZWQJFPLP-UHFFFAOYSA-N
MW477.56 g/mol
LogP3.00
Rot. Bonds8

About N-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide

N-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide (PubChem CID 46889013) has the molecular formula C23H28FN3O5S and a molecular weight of 477.56 g/mol. Its IUPAC name is N-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide
PubChem CID46889013
Molecular FormulaC23H28FN3O5S
Molecular Weight477.56 g/mol
Exact Mass477.17
IUPAC NameN-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)ccc1F
InChIInChI=1S/C23H28FN3O5S/c1-33(29,30)26-22-14-18(5-6-20(22)24)31-13-12-27-10-8-17(9-11-27)32-19-4-2-16-3-7-23(28)25-21(16)15-19/h2,4-6,14-15,17,26H,3,7-13H2,1H3,(H,25,28)
InChIKeyPKONVMZWQJFPLP-UHFFFAOYSA-N
XLogP3.00
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide (CID 46889013) is N-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide?
The InChIKey is PKONVMZWQJFPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O5S/c1-33(29,30)26-22-14-18(5-6-20(22)24)31-13-12-27-10-8-17(9-11-27)32-19-4-2-16-3-7-23(28)25-21(16)15-19/h2,4-6,14-15,17,26H,3,7-13H2,1H3,(H,25,28).
What are the key properties of N-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide?
N-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide has a molecular weight of 477.56 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 46889013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).