7-chloro-5-(2-methylpropylsulfonyl)quinolin-8-ol

C13H14ClNO3S — CID 122439996

IUPAC7-chloro-5-(2-methylpropylsulfonyl)quinolin-8-ol
SMILESCC(C)CS(=O)(=O)c1cc(Cl)c(O)c2ncccc12
InChIInChI=1S/C13H14ClNO3S/c1-8(2)7-19(17,18)11-6-10(14)13(16)12-9(11)4-3-5-15-12/h3-6,8,16H,7H2,1-2H3
InChIKeyYTWGDRPEZIRZPD-UHFFFAOYSA-N
MW299.78 g/mol
LogP3.02
Rot. Bonds3

About 7-chloro-5-(2-methylpropylsulfonyl)quinolin-8-ol

7-chloro-5-(2-methylpropylsulfonyl)quinolin-8-ol (PubChem CID 122439996) has the molecular formula C13H14ClNO3S and a molecular weight of 299.78 g/mol. Its IUPAC name is 7-chloro-5-(2-methylpropylsulfonyl)quinolin-8-ol.

Molecular Properties

Compound Name7-chloro-5-(2-methylpropylsulfonyl)quinolin-8-ol
PubChem CID122439996
Molecular FormulaC13H14ClNO3S
Molecular Weight299.78 g/mol
Exact Mass299.04
IUPAC Name7-chloro-5-(2-methylpropylsulfonyl)quinolin-8-ol
SMILESCC(C)CS(=O)(=O)c1cc(Cl)c(O)c2ncccc12
InChIInChI=1S/C13H14ClNO3S/c1-8(2)7-19(17,18)11-6-10(14)13(16)12-9(11)4-3-5-15-12/h3-6,8,16H,7H2,1-2H3
InChIKeyYTWGDRPEZIRZPD-UHFFFAOYSA-N
XLogP3.02
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-5-(2-methylpropylsulfonyl)quinolin-8-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 7-chloro-5-(2-methylpropylsulfonyl)quinolin-8-ol?
The IUPAC name of 7-chloro-5-(2-methylpropylsulfonyl)quinolin-8-ol (CID 122439996) is 7-chloro-5-(2-methylpropylsulfonyl)quinolin-8-ol.
What is the SMILES notation for 7-chloro-5-(2-methylpropylsulfonyl)quinolin-8-ol?
The canonical SMILES for 7-chloro-5-(2-methylpropylsulfonyl)quinolin-8-ol is CC(C)CS(=O)(=O)c1cc(Cl)c(O)c2ncccc12.
What is the InChIKey of 7-chloro-5-(2-methylpropylsulfonyl)quinolin-8-ol?
The InChIKey is YTWGDRPEZIRZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3S/c1-8(2)7-19(17,18)11-6-10(14)13(16)12-9(11)4-3-5-15-12/h3-6,8,16H,7H2,1-2H3.
What are the key properties of 7-chloro-5-(2-methylpropylsulfonyl)quinolin-8-ol?
7-chloro-5-(2-methylpropylsulfonyl)quinolin-8-ol has a molecular weight of 299.78 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-methylpropylsulfonyl)quinolin-8-ol is sourced from PubChem (CID 122439996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).