1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol

C21H25NO4S — CID 110636294

IUPAC1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCc1ccc2c(c1)C(O)CCN2S(=O)(=O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C21H25NO4S/c1-15-6-11-20-19(14-15)21(23)12-13-22(20)27(24,25)18-9-7-17(8-10-18)26-16-4-2-3-5-16/h6-11,14,16,21,23H,2-5,12-13H2,1H3
InChIKeyPGJBOHWMACRYOK-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.95
Rot. Bonds4

About 1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol

1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110636294) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110636294
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC Name1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCc1ccc2c(c1)C(O)CCN2S(=O)(=O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C21H25NO4S/c1-15-6-11-20-19(14-15)21(23)12-13-22(20)27(24,25)18-9-7-17(8-10-18)26-16-4-2-3-5-16/h6-11,14,16,21,23H,2-5,12-13H2,1H3
InChIKeyPGJBOHWMACRYOK-UHFFFAOYSA-N
XLogP3.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110636752
1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636296
6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636585
1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol
CID 110636408
6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636425
1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 110796362
8-methoxy-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-4-ol
CID 10712674
1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine
CID 113072653
1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one
CID 110727956
1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,6-hexahydroindole
CID 102483049
3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane
CID 110739906
1-(4-ethoxyphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637065

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol (CID 110636294) is 1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol is Cc1ccc2c(c1)C(O)CCN2S(=O)(=O)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is PGJBOHWMACRYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4S/c1-15-6-11-20-19(14-15)21(23)12-13-22(20)27(24,25)18-9-7-17(8-10-18)26-16-4-2-3-5-16/h6-11,14,16,21,23H,2-5,12-13H2,1H3.
What are the key properties of 1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol?
1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 387.50 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110636294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).