7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline

C12H13ClFN — CID 177159993

IUPAC7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline
SMILESC=Cc1c(Cl)c(F)cc2c1N(C)CCC2
InChIInChI=1S/C12H13ClFN/c1-3-9-11(13)10(14)7-8-5-4-6-15(2)12(8)9/h3,7H,1,4-6H2,2H3
InChIKeyYWUODJDQHJHWDF-UHFFFAOYSA-N
MW225.69 g/mol
LogP3.50
Rot. Bonds1

About 7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline

7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline (PubChem CID 177159993) has the molecular formula C12H13ClFN and a molecular weight of 225.69 g/mol. Its IUPAC name is 7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline
PubChem CID177159993
Molecular FormulaC12H13ClFN
Molecular Weight225.69 g/mol
Exact Mass225.07
IUPAC Name7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline
SMILESC=Cc1c(Cl)c(F)cc2c1N(C)CCC2
InChIInChI=1S/C12H13ClFN/c1-3-9-11(13)10(14)7-8-5-4-6-15(2)12(8)9/h3,7H,1,4-6H2,2H3
InChIKeyYWUODJDQHJHWDF-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.69
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82408940
6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride
CID 171787810
6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline
CID 58331978
11-chloro-1-methyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine
CID 58494621
7-chloro-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-9-amine
CID 82394712
(6-chloro-7-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol
CID 177336713
7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 129259469
9-fluoro-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one
CID 82402127
ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 145098323
10-ethyl-1-methyl-3,4-dihydro-2H-benzo[g]quinoline
CID 166491582
1,11-dimethyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine
CID 58494720
7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82399199

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline (CID 177159993) is 7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline is C=Cc1c(Cl)c(F)cc2c1N(C)CCC2.
What is the InChIKey of 7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is YWUODJDQHJHWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN/c1-3-9-11(13)10(14)7-8-5-4-6-15(2)12(8)9/h3,7H,1,4-6H2,2H3.
What are the key properties of 7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline?
7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 225.69 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 177159993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).