1-[4-methyl-2-(4-methylphenyl)sulfanylquinolin-3-yl]ethanone

C19H17NOS — CID 1475703

IUPAC1-[4-methyl-2-(4-methylphenyl)sulfanylquinolin-3-yl]ethanone
SMILESCC(=O)c1c(Sc2ccc(C)cc2)nc2ccccc2c1C
InChIInChI=1S/C19H17NOS/c1-12-8-10-15(11-9-12)22-19-18(14(3)21)13(2)16-6-4-5-7-17(16)20-19/h4-11H,1-3H3
InChIKeyARNBAMWIAKKXEF-UHFFFAOYSA-N
MW307.42 g/mol
LogP5.21
Rot. Bonds3

About 1-[4-methyl-2-(4-methylphenyl)sulfanylquinolin-3-yl]ethanone

1-[4-methyl-2-(4-methylphenyl)sulfanylquinolin-3-yl]ethanone (PubChem CID 1475703) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[4-methyl-2-(4-methylphenyl)sulfanylquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(4-methylphenyl)sulfanylquinolin-3-yl]ethanone
PubChem CID1475703
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC Name1-[4-methyl-2-(4-methylphenyl)sulfanylquinolin-3-yl]ethanone
SMILESCC(=O)c1c(Sc2ccc(C)cc2)nc2ccccc2c1C
InChIInChI=1S/C19H17NOS/c1-12-8-10-15(11-9-12)22-19-18(14(3)21)13(2)16-6-4-5-7-17(16)20-19/h4-11H,1-3H3
InChIKeyARNBAMWIAKKXEF-UHFFFAOYSA-N
XLogP5.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.42
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone
CID 139256386
N,N,2,4-tetramethylquinoline-3-carboxamide
CID 30331894
2-[[1-(4-methylphenyl)sulfanylisoquinoline-3-carbonyl]amino]acetic acid
CID 67954052
1-(3-hydroxy-4-methylquinolin-2-yl)ethanone
CID 134989412
1-(2,4-dimethylquinolin-3-yl)-2,2,2-trifluoroethanone
CID 139234339
4-(2-methylquinolin-4-yl)sulfanylbenzoic acid
CID 43525434
4-phenylsulfanylquinazoline-2-carboxylic acid
CID 62406734
N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
CID 3491620
N,N-diethyl-2,4-dimethylquinoline-3-carboxamide
CID 10824990
4-methyl-2-phenyl-3-phenylsulfanylquinoline
CID 4685647
4-(4-bromophenyl)sulfanylquinazoline-2-carboxylic acid
CID 62406737
2,4-dimethylquinoline-3-carbohydrazide
CID 3811999

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(4-methylphenyl)sulfanylquinolin-3-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-(4-methylphenyl)sulfanylquinolin-3-yl]ethanone (CID 1475703) is 1-[4-methyl-2-(4-methylphenyl)sulfanylquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(4-methylphenyl)sulfanylquinolin-3-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(4-methylphenyl)sulfanylquinolin-3-yl]ethanone is CC(=O)c1c(Sc2ccc(C)cc2)nc2ccccc2c1C.
What is the InChIKey of 1-[4-methyl-2-(4-methylphenyl)sulfanylquinolin-3-yl]ethanone?
The InChIKey is ARNBAMWIAKKXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c1-12-8-10-15(11-9-12)22-19-18(14(3)21)13(2)16-6-4-5-7-17(16)20-19/h4-11H,1-3H3.
What are the key properties of 1-[4-methyl-2-(4-methylphenyl)sulfanylquinolin-3-yl]ethanone?
1-[4-methyl-2-(4-methylphenyl)sulfanylquinolin-3-yl]ethanone has a molecular weight of 307.42 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(4-methylphenyl)sulfanylquinolin-3-yl]ethanone is sourced from PubChem (CID 1475703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).