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

C18H13F2N3OS — CID 166186676

IUPAC7-fluoro-6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3csc(Nc4ccc(F)cc4)n3)c(F)cc2N1
InChIInChI=1S/C18H13F2N3OS/c19-11-2-4-12(5-3-11)21-18-23-16(9-25-18)13-7-10-1-6-17(24)22-15(10)8-14(13)20/h2-5,7-9H,1,6H2,(H,21,23)(H,22,24)
InChIKeyIILWOOXOKSHYGJ-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.72
Rot. Bonds3

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

7-fluoro-6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 166186676) has the molecular formula C18H13F2N3OS and a molecular weight of 357.39 g/mol. Its IUPAC name is 7-fluoro-6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID166186676
Molecular FormulaC18H13F2N3OS
Molecular Weight357.39 g/mol
Exact Mass357.07
IUPAC Name7-fluoro-6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3csc(Nc4ccc(F)cc4)n3)c(F)cc2N1
InChIInChI=1S/C18H13F2N3OS/c19-11-2-4-12(5-3-11)21-18-23-16(9-25-18)13-7-10-1-6-17(24)22-15(10)8-14(13)20/h2-5,7-9H,1,6H2,(H,21,23)(H,22,24)
InChIKeyIILWOOXOKSHYGJ-UHFFFAOYSA-N
XLogP4.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[2-(butylamino)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 60529018
7-fluoro-6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 60529111
6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 58910717
2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 60529050
7-fluoro-6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 56816602
6-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 60528709
6-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343463
6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9264375
6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 166340362
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
N-(4-fluorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 163328871
4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194872

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (CID 166186676) is 7-fluoro-6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(-c3csc(Nc4ccc(F)cc4)n3)c(F)cc2N1.
What is the InChIKey of 7-fluoro-6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IILWOOXOKSHYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3OS/c19-11-2-4-12(5-3-11)21-18-23-16(9-25-18)13-7-10-1-6-17(24)22-15(10)8-14(13)20/h2-5,7-9H,1,6H2,(H,21,23)(H,22,24).
What are the key properties of 7-fluoro-6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 357.39 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 166186676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).