1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol

C12H17NO3S — CID 110637012

IUPAC1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCCS(=O)(=O)N1CCC(O)c2cccc(C)c21
InChIInChI=1S/C12H17NO3S/c1-3-17(15,16)13-8-7-11(14)10-6-4-5-9(2)12(10)13/h4-6,11,14H,3,7-8H2,1-2H3
InChIKeyIZTNQBUOTPRPBB-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.59
Rot. Bonds2

About 1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol

1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110637012) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110637012
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCCS(=O)(=O)N1CCC(O)c2cccc(C)c21
InChIInChI=1S/C12H17NO3S/c1-3-17(15,16)13-8-7-11(14)10-6-4-5-9(2)12(10)13/h4-6,11,14H,3,7-8H2,1-2H3
InChIKeyIZTNQBUOTPRPBB-UHFFFAOYSA-N
XLogP1.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol (CID 110637012) is 1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol is CCS(=O)(=O)N1CCC(O)c2cccc(C)c21.
What is the InChIKey of 1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is IZTNQBUOTPRPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-17(15,16)13-8-7-11(14)10-6-4-5-9(2)12(10)13/h4-6,11,14H,3,7-8H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 255.34 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110637012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).