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

C24H31N3O4S — CID 46888983

IUPACN-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1
InChIInChI=1S/C24H31N3O4S/c1-32(29,30)26-21-3-2-4-22(17-21)31-14-13-27-11-9-18(10-12-27)15-19-5-6-20-7-8-24(28)25-23(20)16-19/h2-6,16-18,26H,7-15H2,1H3,(H,25,28)
InChIKeyZBISUMKKQFCYDI-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.28
Rot. Bonds8

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

N-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide (PubChem CID 46888983) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide
PubChem CID46888983
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC NameN-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1
InChIInChI=1S/C24H31N3O4S/c1-32(29,30)26-21-3-2-4-22(17-21)31-14-13-27-11-9-18(10-12-27)15-19-5-6-20-7-8-24(28)25-23(20)16-19/h2-6,16-18,26H,7-15H2,1H3,(H,25,28)
InChIKeyZBISUMKKQFCYDI-UHFFFAOYSA-N
XLogP3.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide (CID 46888983) is N-[3-[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-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1.
What is the InChIKey of N-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide?
The InChIKey is ZBISUMKKQFCYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-32(29,30)26-21-3-2-4-22(17-21)31-14-13-27-11-9-18(10-12-27)15-19-5-6-20-7-8-24(28)25-23(20)16-19/h2-6,16-18,26H,7-15H2,1H3,(H,25,28).
What are the key properties of N-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide?
N-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide has a molecular weight of 457.60 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 46888983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).