1-(3-propan-2-ylsulfonylpropyl)-3,4-dihydro-2H-quinolin-3-ol

C15H23NO3S — CID 136537932

IUPAC1-(3-propan-2-ylsulfonylpropyl)-3,4-dihydro-2H-quinolin-3-ol
SMILESCC(C)S(=O)(=O)CCCN1CC(O)Cc2ccccc21
InChIInChI=1S/C15H23NO3S/c1-12(2)20(18,19)9-5-8-16-11-14(17)10-13-6-3-4-7-15(13)16/h3-4,6-7,12,14,17H,5,8-11H2,1-2H3
InChIKeyASIWZPPSWQVDCT-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.62
Rot. Bonds5

About 1-(3-propan-2-ylsulfonylpropyl)-3,4-dihydro-2H-quinolin-3-ol

1-(3-propan-2-ylsulfonylpropyl)-3,4-dihydro-2H-quinolin-3-ol (PubChem CID 136537932) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(3-propan-2-ylsulfonylpropyl)-3,4-dihydro-2H-quinolin-3-ol.

Molecular Properties

Compound Name1-(3-propan-2-ylsulfonylpropyl)-3,4-dihydro-2H-quinolin-3-ol
PubChem CID136537932
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-(3-propan-2-ylsulfonylpropyl)-3,4-dihydro-2H-quinolin-3-ol
SMILESCC(C)S(=O)(=O)CCCN1CC(O)Cc2ccccc21
InChIInChI=1S/C15H23NO3S/c1-12(2)20(18,19)9-5-8-16-11-14(17)10-13-6-3-4-7-15(13)16/h3-4,6-7,12,14,17H,5,8-11H2,1-2H3
InChIKeyASIWZPPSWQVDCT-UHFFFAOYSA-N
XLogP1.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-4,5-dihydro-2H-1,4-benzodiazepine
CID 106733433
1-(3-methylsulfonylpropyl)-3-propyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79907103
1-(2-ethylsulfonylethyl)-3-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 106733426
3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
CID 63378163
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 63468992
1-[2-(2,3-dihydroindol-1-yl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702898
(3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol
CID 103738839
3-butan-2-yl-1-(2-methylsulfonylethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79909631
2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one
CID 71215026
(2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole
CID 130412834
1-(4-bromobutyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63447089
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 63491756

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylsulfonylpropyl)-3,4-dihydro-2H-quinolin-3-ol?
The IUPAC name of 1-(3-propan-2-ylsulfonylpropyl)-3,4-dihydro-2H-quinolin-3-ol (CID 136537932) is 1-(3-propan-2-ylsulfonylpropyl)-3,4-dihydro-2H-quinolin-3-ol.
What is the SMILES notation for 1-(3-propan-2-ylsulfonylpropyl)-3,4-dihydro-2H-quinolin-3-ol?
The canonical SMILES for 1-(3-propan-2-ylsulfonylpropyl)-3,4-dihydro-2H-quinolin-3-ol is CC(C)S(=O)(=O)CCCN1CC(O)Cc2ccccc21.
What is the InChIKey of 1-(3-propan-2-ylsulfonylpropyl)-3,4-dihydro-2H-quinolin-3-ol?
The InChIKey is ASIWZPPSWQVDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12(2)20(18,19)9-5-8-16-11-14(17)10-13-6-3-4-7-15(13)16/h3-4,6-7,12,14,17H,5,8-11H2,1-2H3.
What are the key properties of 1-(3-propan-2-ylsulfonylpropyl)-3,4-dihydro-2H-quinolin-3-ol?
1-(3-propan-2-ylsulfonylpropyl)-3,4-dihydro-2H-quinolin-3-ol has a molecular weight of 297.42 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylsulfonylpropyl)-3,4-dihydro-2H-quinolin-3-ol is sourced from PubChem (CID 136537932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).