6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one

C13H11ClFN3OS — CID 168581627

IUPAC6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCc3cnc(Cl)s3)cc(F)c2N1
InChIInChI=1S/C13H11ClFN3OS/c14-13-17-6-9(20-13)5-16-8-3-7-1-2-11(19)18-12(7)10(15)4-8/h3-4,6,16H,1-2,5H2,(H,18,19)
InChIKeyLNFQSZQDLDTHND-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.43
Rot. Bonds3

About 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one

6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 168581627) has the molecular formula C13H11ClFN3OS and a molecular weight of 311.77 g/mol. Its IUPAC name is 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID168581627
Molecular FormulaC13H11ClFN3OS
Molecular Weight311.77 g/mol
Exact Mass311.03
IUPAC Name6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCc3cnc(Cl)s3)cc(F)c2N1
InChIInChI=1S/C13H11ClFN3OS/c14-13-17-6-9(20-13)5-16-8-3-7-1-2-11(19)18-12(7)10(15)4-8/h3-4,6,16H,1-2,5H2,(H,18,19)
InChIKeyLNFQSZQDLDTHND-UHFFFAOYSA-N
XLogP3.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

4-bromo-3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline
CID 168580141
7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 168582884
3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]pyrrolidine-2,5-dione
CID 168582655
3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168584230
1-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,6-difluorophenyl]piperidin-4-ol
CID 168580770
6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one
CID 168580850
2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
CID 168580497
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoro-5-(trifluoromethyl)aniline
CID 168582780
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline
CID 168580395
7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 104921679
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-iodo-5-(trifluoromethyl)aniline
CID 168580762
5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one
CID 168583424

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 168581627) is 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(NCc3cnc(Cl)s3)cc(F)c2N1.
What is the InChIKey of 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LNFQSZQDLDTHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3OS/c14-13-17-6-9(20-13)5-16-8-3-7-1-2-11(19)18-12(7)10(15)4-8/h3-4,6,16H,1-2,5H2,(H,18,19).
What are the key properties of 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 311.77 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 168581627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).