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

C24H30FN3O4S — CID 46888984

IUPACN-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1F
InChIInChI=1S/C24H30FN3O4S/c1-33(30,31)27-23-16-20(5-6-21(23)25)32-13-12-28-10-8-17(9-11-28)14-18-2-3-19-4-7-24(29)26-22(19)15-18/h2-3,5-6,15-17,27H,4,7-14H2,1H3,(H,26,29)
InChIKeyQDSGHUPQZUYWDF-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.42
Rot. Bonds8

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

N-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide (PubChem CID 46888984) has the molecular formula C24H30FN3O4S and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide
PubChem CID46888984
Molecular FormulaC24H30FN3O4S
Molecular Weight475.59 g/mol
Exact Mass475.19
IUPAC NameN-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1F
InChIInChI=1S/C24H30FN3O4S/c1-33(30,31)27-23-16-20(5-6-21(23)25)32-13-12-28-10-8-17(9-11-28)14-18-2-3-19-4-7-24(29)26-22(19)15-18/h2-3,5-6,15-17,27H,4,7-14H2,1H3,(H,26,29)
InChIKeyQDSGHUPQZUYWDF-UHFFFAOYSA-N
XLogP3.42
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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)methyl]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)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide (CID 46888984) is N-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]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)methyl]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)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(OCCN2CCC(Cc3ccc4c(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)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide?
The InChIKey is QDSGHUPQZUYWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O4S/c1-33(30,31)27-23-16-20(5-6-21(23)25)32-13-12-28-10-8-17(9-11-28)14-18-2-3-19-4-7-24(29)26-22(19)15-18/h2-3,5-6,15-17,27H,4,7-14H2,1H3,(H,26,29).
What are the key properties of N-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide?
N-[2-fluoro-5-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide has a molecular weight of 475.59 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 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)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 46888984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).