2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one

C19H15FN2OS — CID 11244649

IUPAC2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
SMILESCc1cc(F)cc(-c2cnc(-c3ccc4c(n3)CCCC4=O)s2)c1
InChIInChI=1S/C19H15FN2OS/c1-11-7-12(9-13(20)8-11)18-10-21-19(24-18)16-6-5-14-15(22-16)3-2-4-17(14)23/h5-10H,2-4H2,1H3
InChIKeyUARVPDOMVCNAIH-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.84
Rot. Bonds2

About 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one

2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one (PubChem CID 11244649) has the molecular formula C19H15FN2OS and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
PubChem CID11244649
Molecular FormulaC19H15FN2OS
Molecular Weight338.41 g/mol
Exact Mass338.09
IUPAC Name2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
SMILESCc1cc(F)cc(-c2cnc(-c3ccc4c(n3)CCCC4=O)s2)c1
InChIInChI=1S/C19H15FN2OS/c1-11-7-12(9-13(20)8-11)18-10-21-19(24-18)16-6-5-14-15(22-16)3-2-4-17(14)23/h5-10H,2-4H2,1H3
InChIKeyUARVPDOMVCNAIH-UHFFFAOYSA-N
XLogP4.84
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one (CID 11244649) is 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one is Cc1cc(F)cc(-c2cnc(-c3ccc4c(n3)CCCC4=O)s2)c1.
What is the InChIKey of 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is UARVPDOMVCNAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2OS/c1-11-7-12(9-13(20)8-11)18-10-21-19(24-18)16-6-5-14-15(22-16)3-2-4-17(14)23/h5-10H,2-4H2,1H3.
What are the key properties of 2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 338.41 g/mol, XLogP of 4.84, 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]-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 11244649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).