3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-one

C26H33NO5S — CID 150365097

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
SMILESCCC(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C26H33NO5S/c1-3-21(18-26(28)27-16-8-10-19-9-4-7-13-23(19)27)33(29,30)22-14-15-24(31-2)25(17-22)32-20-11-5-6-12-20/h4,7,9,13-15,17,20-21H,3,5-6,8,10-12,16,18H2,1-2H3
InChIKeyGWNMKGZQJUIZLT-UHFFFAOYSA-N
MW471.62 g/mol
LogP4.94
Rot. Bonds8

About 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-one

3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-one (PubChem CID 150365097) has the molecular formula C26H33NO5S and a molecular weight of 471.62 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-one.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
PubChem CID150365097
Molecular FormulaC26H33NO5S
Molecular Weight471.62 g/mol
Exact Mass471.21
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
SMILESCCC(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C26H33NO5S/c1-3-21(18-26(28)27-16-8-10-19-9-4-7-13-23(19)27)33(29,30)22-14-15-24(31-2)25(17-22)32-20-11-5-6-12-20/h4,7,9,13-15,17,20-21H,3,5-6,8,10-12,16,18H2,1-2H3
InChIKeyGWNMKGZQJUIZLT-UHFFFAOYSA-N
XLogP4.94
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-one with MolForge

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Related Compounds

3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-7-(N-ethylanilino)-6-methyl-7-oxoheptanoic acid
CID 18363162
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde
CID 7611783
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51160588
3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide
CID 18363210
2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43024576
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(3,4,5-trimethoxyphenyl)propanamide
CID 108953427
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110370846
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one
CID 47877423
3-(4-cyclopentyloxy-3-methoxyphenyl)sulfonyl-N-hydroxy-7-phenylheptanamide
CID 23061656
N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113116402
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-one (CID 150365097) is 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-one.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-one is CCC(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccc(OC)c(OC2CCCC2)c1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
The InChIKey is GWNMKGZQJUIZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO5S/c1-3-21(18-26(28)27-16-8-10-19-9-4-7-13-23(19)27)33(29,30)22-14-15-24(31-2)25(17-22)32-20-11-5-6-12-20/h4,7,9,13-15,17,20-21H,3,5-6,8,10-12,16,18H2,1-2H3.
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-one has a molecular weight of 471.62 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-one is sourced from PubChem (CID 150365097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).