6-chloro-5-fluoro-2,3-dimethylquinoline;ethane

C13H15ClFN — CID 177017016

IUPAC6-chloro-5-fluoro-2,3-dimethylquinoline;ethane
SMILESCC.Cc1cc2c(F)c(Cl)ccc2nc1C
InChIInChI=1S/C11H9ClFN.C2H6/c1-6-5-8-10(14-7(6)2)4-3-9(12)11(8)13;1-2/h3-5H,1-2H3;1-2H3
InChIKeyRLZLKSGJJBURBB-UHFFFAOYSA-N
MW239.72 g/mol
LogP4.67
Rot. Bonds

About 6-chloro-5-fluoro-2,3-dimethylquinoline;ethane

6-chloro-5-fluoro-2,3-dimethylquinoline;ethane (PubChem CID 177017016) has the molecular formula C13H15ClFN and a molecular weight of 239.72 g/mol. Its IUPAC name is 6-chloro-5-fluoro-2,3-dimethylquinoline;ethane.

Molecular Properties

Compound Name6-chloro-5-fluoro-2,3-dimethylquinoline;ethane
PubChem CID177017016
Molecular FormulaC13H15ClFN
Molecular Weight239.72 g/mol
Exact Mass239.09
IUPAC Name6-chloro-5-fluoro-2,3-dimethylquinoline;ethane
SMILESCC.Cc1cc2c(F)c(Cl)ccc2nc1C
InChIInChI=1S/C11H9ClFN.C2H6/c1-6-5-8-10(14-7(6)2)4-3-9(12)11(8)13;1-2/h3-5H,1-2H3;1-2H3
InChIKeyRLZLKSGJJBURBB-UHFFFAOYSA-N
XLogP4.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.72
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2-chloro-5-fluoro-3-methylquinoline
CID 177015936
3,5,6-trifluoro-2-methylquinoline
CID 22158739
4,7-dichloro-2,3,6-trimethylquinoline
CID 104722009
7-chloro-5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridine
CID 157045220
5-chloro-3-(2-chloro-5-fluorophenyl)-2,6-dimethylquinoxaline
CID 163871354
4,7-dichloro-8-fluoro-2-methylquinoline
CID 43668400
6-chloro-7-fluoro-2-methyl-1,3-benzothiazole
CID 130063292
3,4-dichloro-2,6-dimethylquinoline
CID 54483448
5-fluoro-2,3,6-trimethylquinoxaline
CID 159261241
4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline
CID 103996076
ethane;6-fluoro-2,4-dimethylquinoline
CID 142222878
9-chloro-2,3,7-trimethylacridine
CID 19749386

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-2,3-dimethylquinoline;ethane?
The IUPAC name of 6-chloro-5-fluoro-2,3-dimethylquinoline;ethane (CID 177017016) is 6-chloro-5-fluoro-2,3-dimethylquinoline;ethane.
What is the SMILES notation for 6-chloro-5-fluoro-2,3-dimethylquinoline;ethane?
The canonical SMILES for 6-chloro-5-fluoro-2,3-dimethylquinoline;ethane is CC.Cc1cc2c(F)c(Cl)ccc2nc1C.
What is the InChIKey of 6-chloro-5-fluoro-2,3-dimethylquinoline;ethane?
The InChIKey is RLZLKSGJJBURBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN.C2H6/c1-6-5-8-10(14-7(6)2)4-3-9(12)11(8)13;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of 6-chloro-5-fluoro-2,3-dimethylquinoline;ethane?
6-chloro-5-fluoro-2,3-dimethylquinoline;ethane has a molecular weight of 239.72 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-2,3-dimethylquinoline;ethane is sourced from PubChem (CID 177017016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).