2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one

C21H19FN2OS — CID 11394476

IUPAC2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
SMILESCc1cc(F)cc(-c2cnc(-c3ccc4c(n3)CC(C)(C)CC4=O)s2)c1
InChIInChI=1S/C21H19FN2OS/c1-12-6-13(8-14(22)7-12)19-11-23-20(26-19)16-5-4-15-17(24-16)9-21(2,3)10-18(15)25/h4-8,11H,9-10H2,1-3H3
InChIKeyRQXZJVHFZURZIV-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.47
Rot. Bonds2

About 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one

2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one (PubChem CID 11394476) has the molecular formula C21H19FN2OS and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
PubChem CID11394476
Molecular FormulaC21H19FN2OS
Molecular Weight366.46 g/mol
Exact Mass366.12
IUPAC Name2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
SMILESCc1cc(F)cc(-c2cnc(-c3ccc4c(n3)CC(C)(C)CC4=O)s2)c1
InChIInChI=1S/C21H19FN2OS/c1-12-6-13(8-14(22)7-12)19-11-23-20(26-19)16-5-4-15-17(24-16)9-21(2,3)10-18(15)25/h4-8,11H,9-10H2,1-3H3
InChIKeyRQXZJVHFZURZIV-UHFFFAOYSA-N
XLogP5.47
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one with MolForge

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Related Compounds

6-[4-Methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 137659770
2-(2-Fluorophenyl)-[1,3]thiazolo[4,5-g]quinoline-4,9-dione
CID 9796704
2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11151481
2-[5-(3-Fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11166285
2-[5-(3-Fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11166286
2-[5-(3-fluoro-5-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11177087
2-[5-(3-fluoro-5-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11177263
2-[5-(3-Fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11201441
2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11244649
2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11258354
2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11292543
2-[5-(3-Fluoro-5-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11316345

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The IUPAC name of 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one (CID 11394476) is 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one.
What is the SMILES notation for 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The canonical SMILES for 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one is Cc1cc(F)cc(-c2cnc(-c3ccc4c(n3)CC(C)(C)CC4=O)s2)c1.
What is the InChIKey of 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The InChIKey is RQXZJVHFZURZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2OS/c1-12-6-13(8-14(22)7-12)19-11-23-20(26-19)16-5-4-15-17(24-16)9-21(2,3)10-18(15)25/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one?
2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one has a molecular weight of 366.46 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one is sourced from PubChem (CID 11394476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).