(4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone

C19H17NOS — CID 139256386

IUPAC(4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone
SMILESCSc1nc2ccccc2c(C)c1C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H17NOS/c1-12-8-10-14(11-9-12)18(21)17-13(2)15-6-4-5-7-16(15)20-19(17)22-3/h4-11H,1-3H3
InChIKeyJUSUINRAZLKURN-UHFFFAOYSA-N
MW307.42 g/mol
LogP4.80
Rot. Bonds3

About (4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone

(4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone (PubChem CID 139256386) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is (4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone
PubChem CID139256386
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC Name(4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone
SMILESCSc1nc2ccccc2c(C)c1C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H17NOS/c1-12-8-10-14(11-9-12)18(21)17-13(2)15-6-4-5-7-16(15)20-19(17)22-3/h4-11H,1-3H3
InChIKeyJUSUINRAZLKURN-UHFFFAOYSA-N
XLogP4.80
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methyl-2-(4-methylphenyl)sulfanylquinolin-3-yl]ethanone
CID 1475703
(4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone
CID 2439813
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate
CID 162691899
(4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501789
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2592720
[4-(4-methylbenzenecarbothioyl)phenyl]-phenylmethanone
CID 151070047
7H-indolo[2,3-c]quinolin-6-yl-(4-methylphenyl)methanone
CID 170637595
1-(4-methylphenyl)-2-phenanthridin-6-ylethanone
CID 11616575
1,3-benzoselenazol-2-yl-(4-methylphenyl)methanone
CID 177452416
N,N,2,4-tetramethylquinoline-3-carboxamide
CID 30331894
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone?
The IUPAC name of (4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone (CID 139256386) is (4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone is CSc1nc2ccccc2c(C)c1C(=O)c1ccc(C)cc1.
What is the InChIKey of (4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone?
The InChIKey is JUSUINRAZLKURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c1-12-8-10-14(11-9-12)18(21)17-13(2)15-6-4-5-7-16(15)20-19(17)22-3/h4-11H,1-3H3.
What are the key properties of (4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone?
(4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone has a molecular weight of 307.42 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 139256386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).