6-[2-(3-methoxy-4-methylsulfinylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one

C20H18N2O3S2 — CID 11741592

IUPAC6-[2-(3-methoxy-4-methylsulfinylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)ccc1S(C)=O
InChIInChI=1S/C20H18N2O3S2/c1-25-17-10-14(4-7-18(17)27(2)24)20-22-16(11-26-20)13-3-6-15-12(9-13)5-8-19(23)21-15/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,21,23)
InChIKeyIEFYWJDUDQTZGB-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.11
Rot. Bonds4

About 6-[2-(3-methoxy-4-methylsulfinylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(3-methoxy-4-methylsulfinylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 11741592) has the molecular formula C20H18N2O3S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 6-[2-(3-methoxy-4-methylsulfinylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(3-methoxy-4-methylsulfinylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID11741592
Molecular FormulaC20H18N2O3S2
Molecular Weight398.51 g/mol
Exact Mass398.08
IUPAC Name6-[2-(3-methoxy-4-methylsulfinylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)ccc1S(C)=O
InChIInChI=1S/C20H18N2O3S2/c1-25-17-10-14(4-7-18(17)27(2)24)20-22-16(11-26-20)13-3-6-15-12(9-13)5-8-19(23)21-15/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,21,23)
InChIKeyIEFYWJDUDQTZGB-UHFFFAOYSA-N
XLogP4.11
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(3-methoxy-4-methylsulfinylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

2-(3-methoxyphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2796264
2-(3-Methoxy-4-methylthiophenyl)-4-(3,4-dihydrocarbostyril-6-yl)thiazole
CID 10022798
6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 10067479
6-[2-(4-methoxy-3-propoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 10250038
6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 10453244
6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343481
6-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 10249207
6-[2-(3-butoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 10409189
6-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9204894
6-[2-(4-Methoxyphenyl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinolin-2-one
CID 9343705
6-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 10023428
6-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 45261692

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxy-4-methylsulfinylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(3-methoxy-4-methylsulfinylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (CID 11741592) is 6-[2-(3-methoxy-4-methylsulfinylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(3-methoxy-4-methylsulfinylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(3-methoxy-4-methylsulfinylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is COc1cc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)ccc1S(C)=O.
What is the InChIKey of 6-[2-(3-methoxy-4-methylsulfinylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IEFYWJDUDQTZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S2/c1-25-17-10-14(4-7-18(17)27(2)24)20-22-16(11-26-20)13-3-6-15-12(9-13)5-8-19(23)21-15/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,21,23).
What are the key properties of 6-[2-(3-methoxy-4-methylsulfinylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(3-methoxy-4-methylsulfinylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 398.51 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxy-4-methylsulfinylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 11741592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).