(4-methylsulfanylphenyl)-quinolin-6-ylmethanol

C17H15NOS — CID 115826701

IUPAC(4-methylsulfanylphenyl)-quinolin-6-ylmethanol
SMILESCSc1ccc(C(O)c2ccc3ncccc3c2)cc1
InChIInChI=1S/C17H15NOS/c1-20-15-7-4-12(5-8-15)17(19)14-6-9-16-13(11-14)3-2-10-18-16/h2-11,17,19H,1H3
InChIKeyIDQYYCRLPRDGGJ-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.04
Rot. Bonds3

About (4-methylsulfanylphenyl)-quinolin-6-ylmethanol

(4-methylsulfanylphenyl)-quinolin-6-ylmethanol (PubChem CID 115826701) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)-quinolin-6-ylmethanol.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)-quinolin-6-ylmethanol
PubChem CID115826701
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name(4-methylsulfanylphenyl)-quinolin-6-ylmethanol
SMILESCSc1ccc(C(O)c2ccc3ncccc3c2)cc1
InChIInChI=1S/C17H15NOS/c1-20-15-7-4-12(5-8-15)17(19)14-6-9-16-13(11-14)3-2-10-18-16/h2-11,17,19H,1H3
InChIKeyIDQYYCRLPRDGGJ-UHFFFAOYSA-N
XLogP4.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylsulfanylphenyl)-quinolin-7-ylmethanol
CID 115827020
pyridin-4-yl(quinolin-6-yl)methanol
CID 81215658
(4-ethylphenyl)-quinolin-6-ylmethanol
CID 62876415
(4-methoxy-3-methylphenyl)-quinolin-6-ylmethanol
CID 78917721
(3-aminophenyl)-quinolin-6-ylmethanol
CID 106695803
(3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol
CID 81216485
(2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol
CID 107512228
(5-fluoro-2-methylphenyl)-quinolin-6-ylmethanol
CID 63095091
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
(5-fluoro-2-pyridinyl)-quinolin-6-ylmethanol
CID 81221058
pyrazin-2-yl(quinolin-6-yl)methanol
CID 63969432
1H-pyrrol-2-yl(quinolin-6-yl)methanol
CID 112742814

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)-quinolin-6-ylmethanol?
The IUPAC name of (4-methylsulfanylphenyl)-quinolin-6-ylmethanol (CID 115826701) is (4-methylsulfanylphenyl)-quinolin-6-ylmethanol.
What is the SMILES notation for (4-methylsulfanylphenyl)-quinolin-6-ylmethanol?
The canonical SMILES for (4-methylsulfanylphenyl)-quinolin-6-ylmethanol is CSc1ccc(C(O)c2ccc3ncccc3c2)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)-quinolin-6-ylmethanol?
The InChIKey is IDQYYCRLPRDGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-20-15-7-4-12(5-8-15)17(19)14-6-9-16-13(11-14)3-2-10-18-16/h2-11,17,19H,1H3.
What are the key properties of (4-methylsulfanylphenyl)-quinolin-6-ylmethanol?
(4-methylsulfanylphenyl)-quinolin-6-ylmethanol has a molecular weight of 281.38 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)-quinolin-6-ylmethanol is sourced from PubChem (CID 115826701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).