6-methoxy-3-methylsulfonyl-4-(2-phenylethyl)-1H-quinolin-2-one

C19H19NO4S — CID 52941597

IUPAC6-methoxy-3-methylsulfonyl-4-(2-phenylethyl)-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(S(C)(=O)=O)c(CCc3ccccc3)c2c1
InChIInChI=1S/C19H19NO4S/c1-24-14-9-11-17-16(12-14)15(10-8-13-6-4-3-5-7-13)18(19(21)20-17)25(2,22)23/h3-7,9,11-12H,8,10H2,1-2H3,(H,20,21)
InChIKeyBXUGBCMKSUJJPL-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.73
Rot. Bonds5

About 6-methoxy-3-methylsulfonyl-4-(2-phenylethyl)-1H-quinolin-2-one

6-methoxy-3-methylsulfonyl-4-(2-phenylethyl)-1H-quinolin-2-one (PubChem CID 52941597) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 6-methoxy-3-methylsulfonyl-4-(2-phenylethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-methylsulfonyl-4-(2-phenylethyl)-1H-quinolin-2-one
PubChem CID52941597
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name6-methoxy-3-methylsulfonyl-4-(2-phenylethyl)-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(S(C)(=O)=O)c(CCc3ccccc3)c2c1
InChIInChI=1S/C19H19NO4S/c1-24-14-9-11-17-16(12-14)15(10-8-13-6-4-3-5-7-13)18(19(21)20-17)25(2,22)23/h3-7,9,11-12H,8,10H2,1-2H3,(H,20,21)
InChIKeyBXUGBCMKSUJJPL-UHFFFAOYSA-N
XLogP2.73
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Haplamine
CID 648601
4-(4-methoxyphenyl)-1H-quinolin-2-one
CID 672272
2-Hydroxy-6-methoxy-4-methylquinoline
CID 220017
2-[(2,6-Dimethyl-phenyl)-methanesulfonyl-amino]-N-(4-methoxy-phenyl)-acetamide
CID 1108138
4-(((4-Methoxyphenyl)amino)methyl)quinolin-2-ol
CID 1850508
2-Hydroxy-6-methoxyquinoline
CID 228268
2-(benzylthio)-N-(4-methoxyphenyl)propanamide
CID 2889957
N-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 5072004
N-(4-methoxyphenyl)-N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]acetamide
CID 862742
N-((2-hydroxy-6-methoxyquinolin-3-yl)methyl)-N-(4-methoxyphenyl)methanesulfonamide
CID 666374
N-(4-methoxyphenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 875841
N-[4-(6-Methoxy-2,2,4-trimethyl-2H-quinoline-1-sulfonyl)-phenyl]-acetamide
CID 1015805

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methylsulfonyl-4-(2-phenylethyl)-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-methylsulfonyl-4-(2-phenylethyl)-1H-quinolin-2-one (CID 52941597) is 6-methoxy-3-methylsulfonyl-4-(2-phenylethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-methylsulfonyl-4-(2-phenylethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-methylsulfonyl-4-(2-phenylethyl)-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(S(C)(=O)=O)c(CCc3ccccc3)c2c1.
What is the InChIKey of 6-methoxy-3-methylsulfonyl-4-(2-phenylethyl)-1H-quinolin-2-one?
The InChIKey is BXUGBCMKSUJJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-24-14-9-11-17-16(12-14)15(10-8-13-6-4-3-5-7-13)18(19(21)20-17)25(2,22)23/h3-7,9,11-12H,8,10H2,1-2H3,(H,20,21).
What are the key properties of 6-methoxy-3-methylsulfonyl-4-(2-phenylethyl)-1H-quinolin-2-one?
6-methoxy-3-methylsulfonyl-4-(2-phenylethyl)-1H-quinolin-2-one has a molecular weight of 357.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methylsulfonyl-4-(2-phenylethyl)-1H-quinolin-2-one is sourced from PubChem (CID 52941597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).