6-quinolin-5-yloxyhexane-1-thiol

C15H19NOS — CID 103046109

IUPAC6-quinolin-5-yloxyhexane-1-thiol
SMILESSCCCCCCOc1cccc2ncccc12
InChIInChI=1S/C15H19NOS/c18-12-4-2-1-3-11-17-15-9-5-8-14-13(15)7-6-10-16-14/h5-10,18H,1-4,11-12H2
InChIKeyGLVJUNOLQJNIKY-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.10
Rot. Bonds7

About 6-quinolin-5-yloxyhexane-1-thiol

6-quinolin-5-yloxyhexane-1-thiol (PubChem CID 103046109) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 6-quinolin-5-yloxyhexane-1-thiol.

Molecular Properties

Compound Name6-quinolin-5-yloxyhexane-1-thiol
PubChem CID103046109
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name6-quinolin-5-yloxyhexane-1-thiol
SMILESSCCCCCCOc1cccc2ncccc12
InChIInChI=1S/C15H19NOS/c18-12-4-2-1-3-11-17-15-9-5-8-14-13(15)7-6-10-16-14/h5-10,18H,1-4,11-12H2
InChIKeyGLVJUNOLQJNIKY-UHFFFAOYSA-N
XLogP4.10
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 6-quinolin-5-yloxyhexane-1-thiol 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

5-(9-bromononoxy)quinoline
CID 103044601
6-quinolin-5-yloxyhexane-1-sulfonamide
CID 103046001
5-(3,3-dimethylbutoxy)quinoline
CID 59667943
4-(2-quinolin-5-yloxyethoxy)aniline
CID 103044211
1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol
CID 103046046
2-quinolin-5-yloxyacetaldehyde
CID 103045247
N-(2-quinolin-5-yloxyethyl)pentan-3-amine
CID 103045833
2-amino-4-quinolin-5-yloxybutanenitrile
CID 103045532
5-(5-chloro-3-methylpentoxy)quinoline
CID 103044594
5-(3-bromo-2-methylpropoxy)quinoline
CID 103044584
O-quinolin-5-ylhydroxylamine;hydrochloride
CID 162421843
3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine
CID 103045848

Frequently Asked Questions

What is the IUPAC name of 6-quinolin-5-yloxyhexane-1-thiol?
The IUPAC name of 6-quinolin-5-yloxyhexane-1-thiol (CID 103046109) is 6-quinolin-5-yloxyhexane-1-thiol.
What is the SMILES notation for 6-quinolin-5-yloxyhexane-1-thiol?
The canonical SMILES for 6-quinolin-5-yloxyhexane-1-thiol is SCCCCCCOc1cccc2ncccc12.
What is the InChIKey of 6-quinolin-5-yloxyhexane-1-thiol?
The InChIKey is GLVJUNOLQJNIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c18-12-4-2-1-3-11-17-15-9-5-8-14-13(15)7-6-10-16-14/h5-10,18H,1-4,11-12H2.
What are the key properties of 6-quinolin-5-yloxyhexane-1-thiol?
6-quinolin-5-yloxyhexane-1-thiol has a molecular weight of 261.39 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-quinolin-5-yloxyhexane-1-thiol is sourced from PubChem (CID 103046109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).