4-methyl-3-quinolin-3-ylthiolan-3-ol

C14H15NOS — CID 114285247

IUPAC4-methyl-3-quinolin-3-ylthiolan-3-ol
SMILESCC1CSCC1(O)c1cnc2ccccc2c1
InChIInChI=1S/C14H15NOS/c1-10-8-17-9-14(10,16)12-6-11-4-2-3-5-13(11)15-7-12/h2-7,10,16H,8-9H2,1H3
InChIKeyFOBXYBRVPJRVMO-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.81
Rot. Bonds1

About 4-methyl-3-quinolin-3-ylthiolan-3-ol

4-methyl-3-quinolin-3-ylthiolan-3-ol (PubChem CID 114285247) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-methyl-3-quinolin-3-ylthiolan-3-ol.

Molecular Properties

Compound Name4-methyl-3-quinolin-3-ylthiolan-3-ol
PubChem CID114285247
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name4-methyl-3-quinolin-3-ylthiolan-3-ol
SMILESCC1CSCC1(O)c1cnc2ccccc2c1
InChIInChI=1S/C14H15NOS/c1-10-8-17-9-14(10,16)12-6-11-4-2-3-5-13(11)15-7-12/h2-7,10,16H,8-9H2,1H3
InChIKeyFOBXYBRVPJRVMO-UHFFFAOYSA-N
XLogP2.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-3-quinolin-3-ylthiolan-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol
CID 64755422
cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol
CID 67826676
2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol
CID 60925074
3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol
CID 103564190
2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol
CID 112740410
tert-butyl 3-hydroxy-3-quinolin-3-ylazetidine-1-carboxylate
CID 103695996
3-methyl-3-quinolin-3-ylcyclopentan-1-ol
CID 116539964
1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol
CID 64754292
2,2,5,5-tetramethyl-3-quinolin-3-yloxolan-3-ol
CID 79927871
2,2-dimethyl-1-quinolin-3-ylcyclopentan-1-amine
CID 79857359
3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol
CID 107089667
4-(quinolin-3-ylmethyl)thiolan-3-ol
CID 114203558

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-quinolin-3-ylthiolan-3-ol?
The IUPAC name of 4-methyl-3-quinolin-3-ylthiolan-3-ol (CID 114285247) is 4-methyl-3-quinolin-3-ylthiolan-3-ol.
What is the SMILES notation for 4-methyl-3-quinolin-3-ylthiolan-3-ol?
The canonical SMILES for 4-methyl-3-quinolin-3-ylthiolan-3-ol is CC1CSCC1(O)c1cnc2ccccc2c1.
What is the InChIKey of 4-methyl-3-quinolin-3-ylthiolan-3-ol?
The InChIKey is FOBXYBRVPJRVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-10-8-17-9-14(10,16)12-6-11-4-2-3-5-13(11)15-7-12/h2-7,10,16H,8-9H2,1H3.
What are the key properties of 4-methyl-3-quinolin-3-ylthiolan-3-ol?
4-methyl-3-quinolin-3-ylthiolan-3-ol has a molecular weight of 245.35 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-quinolin-3-ylthiolan-3-ol is sourced from PubChem (CID 114285247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).