4-(quinolin-3-ylmethyl)thiolan-3-ol

C14H15NOS — CID 114203558

IUPAC4-(quinolin-3-ylmethyl)thiolan-3-ol
SMILESOC1CSCC1Cc1cnc2ccccc2c1
InChIInChI=1S/C14H15NOS/c16-14-9-17-8-12(14)6-10-5-11-3-1-2-4-13(11)15-7-10/h1-5,7,12,14,16H,6,8-9H2
InChIKeyDOHWFNMEQTWLHB-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.50
Rot. Bonds2

About 4-(quinolin-3-ylmethyl)thiolan-3-ol

4-(quinolin-3-ylmethyl)thiolan-3-ol (PubChem CID 114203558) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-(quinolin-3-ylmethyl)thiolan-3-ol.

Molecular Properties

Compound Name4-(quinolin-3-ylmethyl)thiolan-3-ol
PubChem CID114203558
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name4-(quinolin-3-ylmethyl)thiolan-3-ol
SMILESOC1CSCC1Cc1cnc2ccccc2c1
InChIInChI=1S/C14H15NOS/c16-14-9-17-8-12(14)6-10-5-11-3-1-2-4-13(11)15-7-10/h1-5,7,12,14,16H,6,8-9H2
InChIKeyDOHWFNMEQTWLHB-UHFFFAOYSA-N
XLogP2.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-3-ylmethyl)thiolan-3-ol?
The IUPAC name of 4-(quinolin-3-ylmethyl)thiolan-3-ol (CID 114203558) is 4-(quinolin-3-ylmethyl)thiolan-3-ol.
What is the SMILES notation for 4-(quinolin-3-ylmethyl)thiolan-3-ol?
The canonical SMILES for 4-(quinolin-3-ylmethyl)thiolan-3-ol is OC1CSCC1Cc1cnc2ccccc2c1.
What is the InChIKey of 4-(quinolin-3-ylmethyl)thiolan-3-ol?
The InChIKey is DOHWFNMEQTWLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c16-14-9-17-8-12(14)6-10-5-11-3-1-2-4-13(11)15-7-10/h1-5,7,12,14,16H,6,8-9H2.
What are the key properties of 4-(quinolin-3-ylmethyl)thiolan-3-ol?
4-(quinolin-3-ylmethyl)thiolan-3-ol has a molecular weight of 245.35 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-3-ylmethyl)thiolan-3-ol is sourced from PubChem (CID 114203558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).