2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide

C21H18FN3O2S — CID 60529050

IUPAC2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2nc(-c3cc4c(cc3F)NC(=O)CC4)cs2)cc1
InChIInChI=1S/C21H18FN3O2S/c1-12-2-5-14(6-3-12)23-20(27)10-21-25-18(11-28-21)15-8-13-4-7-19(26)24-17(13)9-16(15)22/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,23,27)(H,24,26)
InChIKeyGDDLFOCGTARDJV-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.32
Rot. Bonds4

About 2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide

2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 60529050) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID60529050
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC Name2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2nc(-c3cc4c(cc3F)NC(=O)CC4)cs2)cc1
InChIInChI=1S/C21H18FN3O2S/c1-12-2-5-14(6-3-12)23-20(27)10-21-25-18(11-28-21)15-8-13-4-7-19(26)24-17(13)9-16(15)22/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,23,27)(H,24,26)
InChIKeyGDDLFOCGTARDJV-UHFFFAOYSA-N
XLogP4.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 2475630
7-fluoro-6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 60529111
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962931
7-fluoro-6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 166186676
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962915
N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 8962875
2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 18287994
6-[2-(butylamino)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 60529018
6-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 60528709
N-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 8750257
N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 9343920
2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 32951608

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (CID 60529050) is 2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cc2nc(-c3cc4c(cc3F)NC(=O)CC4)cs2)cc1.
What is the InChIKey of 2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is GDDLFOCGTARDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-12-2-5-14(6-3-12)23-20(27)10-21-25-18(11-28-21)15-8-13-4-7-19(26)24-17(13)9-16(15)22/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 395.46 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 60529050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).