(4-methylsulfanylphenyl)-quinolin-3-ylmethanone

C17H13NOS — CID 114963133

IUPAC(4-methylsulfanylphenyl)-quinolin-3-ylmethanone
SMILESCSc1ccc(C(=O)c2cnc3ccccc3c2)cc1
InChIInChI=1S/C17H13NOS/c1-20-15-8-6-12(7-9-15)17(19)14-10-13-4-2-3-5-16(13)18-11-14/h2-11H,1H3
InChIKeyLEUSOGNZKKRZLB-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.19
Rot. Bonds3

About (4-methylsulfanylphenyl)-quinolin-3-ylmethanone

(4-methylsulfanylphenyl)-quinolin-3-ylmethanone (PubChem CID 114963133) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)-quinolin-3-ylmethanone.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)-quinolin-3-ylmethanone
PubChem CID114963133
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC Name(4-methylsulfanylphenyl)-quinolin-3-ylmethanone
SMILESCSc1ccc(C(=O)c2cnc3ccccc3c2)cc1
InChIInChI=1S/C17H13NOS/c1-20-15-8-6-12(7-9-15)17(19)14-10-13-4-2-3-5-16(13)18-11-14/h2-11H,1H3
InChIKeyLEUSOGNZKKRZLB-UHFFFAOYSA-N
XLogP4.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)-quinolin-3-ylmethanone?
The IUPAC name of (4-methylsulfanylphenyl)-quinolin-3-ylmethanone (CID 114963133) is (4-methylsulfanylphenyl)-quinolin-3-ylmethanone.
What is the SMILES notation for (4-methylsulfanylphenyl)-quinolin-3-ylmethanone?
The canonical SMILES for (4-methylsulfanylphenyl)-quinolin-3-ylmethanone is CSc1ccc(C(=O)c2cnc3ccccc3c2)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)-quinolin-3-ylmethanone?
The InChIKey is LEUSOGNZKKRZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS/c1-20-15-8-6-12(7-9-15)17(19)14-10-13-4-2-3-5-16(13)18-11-14/h2-11H,1H3.
What are the key properties of (4-methylsulfanylphenyl)-quinolin-3-ylmethanone?
(4-methylsulfanylphenyl)-quinolin-3-ylmethanone has a molecular weight of 279.36 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)-quinolin-3-ylmethanone is sourced from PubChem (CID 114963133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).