(4-methylsulfanylphenyl)-quinolin-7-ylmethanol

C17H15NOS — CID 115827020

IUPAC(4-methylsulfanylphenyl)-quinolin-7-ylmethanol
SMILESCSc1ccc(C(O)c2ccc3cccnc3c2)cc1
InChIInChI=1S/C17H15NOS/c1-20-15-8-6-13(7-9-15)17(19)14-5-4-12-3-2-10-18-16(12)11-14/h2-11,17,19H,1H3
InChIKeyXWKGRHLPTDCCBF-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.04
Rot. Bonds3

About (4-methylsulfanylphenyl)-quinolin-7-ylmethanol

(4-methylsulfanylphenyl)-quinolin-7-ylmethanol (PubChem CID 115827020) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)-quinolin-7-ylmethanol.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)-quinolin-7-ylmethanol
PubChem CID115827020
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name(4-methylsulfanylphenyl)-quinolin-7-ylmethanol
SMILESCSc1ccc(C(O)c2ccc3cccnc3c2)cc1
InChIInChI=1S/C17H15NOS/c1-20-15-8-6-13(7-9-15)17(19)14-5-4-12-3-2-10-18-16(12)11-14/h2-11,17,19H,1H3
InChIKeyXWKGRHLPTDCCBF-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-6-ylmethanol
CID 115826701
(4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol
CID 81198121
(3-chloro-4-methylphenyl)-quinolin-7-ylmethanol
CID 115827163
(3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol
CID 81196495
(4-methyl-2-pyridinyl)-quinolin-7-ylmethanol
CID 81220437
furan-2-yl(quinolin-7-yl)methanol
CID 81216478
(2-chlorophenyl)-quinolin-7-ylmethanol
CID 81216556
(2-bromophenyl)-quinolin-7-ylmethanol
CID 81216340
quinolin-7-yl(1,3-thiazol-4-yl)methanol
CID 81220836
(2-amino-3-methoxyphenyl)-quinolin-7-ylmethanol
CID 107469424
(3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 107954092
(2-bromo-3-fluorophenyl)-quinolin-7-ylmethanol
CID 115827043

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)-quinolin-7-ylmethanol?
The IUPAC name of (4-methylsulfanylphenyl)-quinolin-7-ylmethanol (CID 115827020) is (4-methylsulfanylphenyl)-quinolin-7-ylmethanol.
What is the SMILES notation for (4-methylsulfanylphenyl)-quinolin-7-ylmethanol?
The canonical SMILES for (4-methylsulfanylphenyl)-quinolin-7-ylmethanol is CSc1ccc(C(O)c2ccc3cccnc3c2)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)-quinolin-7-ylmethanol?
The InChIKey is XWKGRHLPTDCCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-20-15-8-6-13(7-9-15)17(19)14-5-4-12-3-2-10-18-16(12)11-14/h2-11,17,19H,1H3.
What are the key properties of (4-methylsulfanylphenyl)-quinolin-7-ylmethanol?
(4-methylsulfanylphenyl)-quinolin-7-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-7-ylmethanol is sourced from PubChem (CID 115827020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).