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

C23H29N3O5S — CID 46888986

IUPACN-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)c1
InChIInChI=1S/C23H29N3O5S/c1-32(28,29)25-18-3-2-4-20(15-18)30-14-13-26-11-9-19(10-12-26)31-21-7-5-17-6-8-23(27)24-22(17)16-21/h2-5,7,15-16,19,25H,6,8-14H2,1H3,(H,24,27)
InChIKeyRJGPBFPTKNFYQH-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.87
Rot. Bonds8

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

N-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide (PubChem CID 46888986) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide
PubChem CID46888986
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC NameN-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)c1
InChIInChI=1S/C23H29N3O5S/c1-32(28,29)25-18-3-2-4-20(15-18)30-14-13-26-11-9-19(10-12-26)31-21-7-5-17-6-8-23(27)24-22(17)16-21/h2-5,7,15-16,19,25H,6,8-14H2,1H3,(H,24,27)
InChIKeyRJGPBFPTKNFYQH-UHFFFAOYSA-N
XLogP2.87
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899503
Ketopiperazine-based inhibitor, 11
CID 11204336
Tetra-hydro-isoquinoline derivative 3
CID 137653313
7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10502413
7-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butoxy)-3,4-dihydroquinolin-2(1H)-one
CID 10692886
Tetra-hydro-isoquinoline derivative 2
CID 46829772
Tetra-hydro-isoquinoline derivative 4
CID 137652717
7-[4-[4-(2-Fluorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone
CID 10715828
2-[4-[4-[(1,2,3,4-Tetrahydro-2-oxo-7-quinolinyl)oxy]butyl]-1-piperazinyl]benzonitrile
CID 10763756
7-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;oxalic acid
CID 53248672
7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;oxalic acid
CID 53249133
1-[(4-Fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one
CID 86299850

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide (CID 46888986) is N-[3-[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-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)c1.
What is the InChIKey of N-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide?
The InChIKey is RJGPBFPTKNFYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-32(28,29)25-18-3-2-4-20(15-18)30-14-13-26-11-9-19(10-12-26)31-21-7-5-17-6-8-23(27)24-22(17)16-21/h2-5,7,15-16,19,25H,6,8-14H2,1H3,(H,24,27).
What are the key properties of N-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide?
N-[3-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide has a molecular weight of 459.57 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 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)oxy]piperidin-1-yl]ethoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 46888986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).