6-[fluoro-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]amino]-3,4-dihydro-1H-quinolin-2-one

C18H13F2N3OS — CID 167107575

IUPAC6-[fluoro-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(N(F)c3scnc3-c3ccc(F)cc3)ccc2N1
InChIInChI=1S/C18H13F2N3OS/c19-13-4-1-11(2-5-13)17-18(25-10-21-17)23(20)14-6-7-15-12(9-14)3-8-16(24)22-15/h1-2,4-7,9-10H,3,8H2,(H,22,24)
InChIKeyYMWJALMUBLTSKM-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.86
Rot. Bonds3

About 6-[fluoro-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]amino]-3,4-dihydro-1H-quinolin-2-one

6-[fluoro-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 167107575) has the molecular formula C18H13F2N3OS and a molecular weight of 357.39 g/mol. Its IUPAC name is 6-[fluoro-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[fluoro-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID167107575
Molecular FormulaC18H13F2N3OS
Molecular Weight357.39 g/mol
Exact Mass357.07
IUPAC Name6-[fluoro-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(N(F)c3scnc3-c3ccc(F)cc3)ccc2N1
InChIInChI=1S/C18H13F2N3OS/c19-13-4-1-11(2-5-13)17-18(25-10-21-17)23(20)14-6-7-15-12(9-14)3-8-16(24)22-15/h1-2,4-7,9-10H,3,8H2,(H,22,24)
InChIKeyYMWJALMUBLTSKM-UHFFFAOYSA-N
XLogP4.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

6-(6-fluoroquinolin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 164550234
6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471
6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 166047857
6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001469
6-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 51318362
N-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide
CID 55891421
6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82493883
6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82481969
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile
CID 116889922
4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile
CID 116866952
methyl N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamate
CID 115190470
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284

Frequently Asked Questions

What is the IUPAC name of 6-[fluoro-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[fluoro-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]amino]-3,4-dihydro-1H-quinolin-2-one (CID 167107575) is 6-[fluoro-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[fluoro-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[fluoro-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]amino]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(N(F)c3scnc3-c3ccc(F)cc3)ccc2N1.
What is the InChIKey of 6-[fluoro-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YMWJALMUBLTSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3OS/c19-13-4-1-11(2-5-13)17-18(25-10-21-17)23(20)14-6-7-15-12(9-14)3-8-16(24)22-15/h1-2,4-7,9-10H,3,8H2,(H,22,24).
What are the key properties of 6-[fluoro-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
6-[fluoro-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 357.39 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[fluoro-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 167107575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).