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

C20H18N2OS — CID 10472078

IUPAC6-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1C
InChIInChI=1S/C20H18N2OS/c1-12-3-4-16(9-13(12)2)20-22-18(11-24-20)15-5-7-17-14(10-15)6-8-19(23)21-17/h3-5,7,9-11H,6,8H2,1-2H3,(H,21,23)
InChIKeyFLHJOEORSRPRJT-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.98
Rot. Bonds2

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

6-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 10472078) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 6-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID10472078
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name6-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1C
InChIInChI=1S/C20H18N2OS/c1-12-3-4-16(9-13(12)2)20-22-18(11-24-20)15-5-7-17-14(10-15)6-8-19(23)21-17/h3-5,7,9-11H,6,8H2,1-2H3,(H,21,23)
InChIKeyFLHJOEORSRPRJT-UHFFFAOYSA-N
XLogP4.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (CID 10472078) is 6-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1C.
What is the InChIKey of 6-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FLHJOEORSRPRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-12-3-4-16(9-13(12)2)20-22-18(11-24-20)15-5-7-17-14(10-15)6-8-19(23)21-17/h3-5,7,9-11H,6,8H2,1-2H3,(H,21,23).
What are the key properties of 6-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 334.44 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 10472078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).