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

C19H15FN2OS — CID 60529111

IUPAC7-fluoro-6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(-c2nc(-c3cc4c(cc3F)NC(=O)CC4)cs2)cc1
InChIInChI=1S/C19H15FN2OS/c1-11-2-4-12(5-3-11)19-22-17(10-24-19)14-8-13-6-7-18(23)21-16(13)9-15(14)20/h2-5,8-10H,6-7H2,1H3,(H,21,23)
InChIKeyUEAJEJUWSOMHPI-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.81
Rot. Bonds2

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

7-fluoro-6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 60529111) has the molecular formula C19H15FN2OS and a molecular weight of 338.41 g/mol. Its IUPAC name is 7-fluoro-6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID60529111
Molecular FormulaC19H15FN2OS
Molecular Weight338.41 g/mol
Exact Mass338.09
IUPAC Name7-fluoro-6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(-c2nc(-c3cc4c(cc3F)NC(=O)CC4)cs2)cc1
InChIInChI=1S/C19H15FN2OS/c1-11-2-4-12(5-3-11)19-22-17(10-24-19)14-8-13-6-7-18(23)21-16(13)9-15(14)20/h2-5,8-10H,6-7H2,1H3,(H,21,23)
InChIKeyUEAJEJUWSOMHPI-UHFFFAOYSA-N
XLogP4.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (CID 60529111) is 7-fluoro-6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(-c2nc(-c3cc4c(cc3F)NC(=O)CC4)cs2)cc1.
What is the InChIKey of 7-fluoro-6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UEAJEJUWSOMHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2OS/c1-11-2-4-12(5-3-11)19-22-17(10-24-19)14-8-13-6-7-18(23)21-16(13)9-15(14)20/h2-5,8-10H,6-7H2,1H3,(H,21,23).
What are the key properties of 7-fluoro-6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 338.41 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 60529111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).