1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol

C19H21NO3S — CID 110636873

IUPAC1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(O)c2ccccc21
InChIInChI=1S/C19H21NO3S/c21-19-11-12-20(18-8-4-3-7-17(18)19)24(22,23)16-10-9-14-5-1-2-6-15(14)13-16/h3-4,7-10,13,19,21H,1-2,5-6,11-12H2
InChIKeyPLXFOVCRCIHLOC-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.20
Rot. Bonds2

About 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol

1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110636873) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110636873
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(O)c2ccccc21
InChIInChI=1S/C19H21NO3S/c21-19-11-12-20(18-8-4-3-7-17(18)19)24(22,23)16-10-9-14-5-1-2-6-15(14)13-16/h3-4,7-10,13,19,21H,1-2,5-6,11-12H2
InChIKeyPLXFOVCRCIHLOC-UHFFFAOYSA-N
XLogP3.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 51856369
7-(2-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,4-thiazepane
CID 90631498
1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol
CID 110636408
1-pyridin-3-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114337506
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol
CID 43394280
1-(2-chlorophenyl)sulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 26945246
(4-hydroxypiperidin-1-yl)-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanone
CID 134014817
4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine
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Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol (CID 110636873) is 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(O)c2ccccc21.
What is the InChIKey of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is PLXFOVCRCIHLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c21-19-11-12-20(18-8-4-3-7-17(18)19)24(22,23)16-10-9-14-5-1-2-6-15(14)13-16/h3-4,7-10,13,19,21H,1-2,5-6,11-12H2.
What are the key properties of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol?
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 343.45 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110636873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).