8-chloro-3,6-dimethylquinoline;ethane

C13H16ClN — CID 169233999

IUPAC8-chloro-3,6-dimethylquinoline;ethane
SMILESCC.Cc1cnc2c(Cl)cc(C)cc2c1
InChIInChI=1S/C11H10ClN.C2H6/c1-7-3-9-4-8(2)6-13-11(9)10(12)5-7;1-2/h3-6H,1-2H3;1-2H3
InChIKeyAAXUMPQMWJJKHK-UHFFFAOYSA-N
MW221.73 g/mol
LogP4.53
Rot. Bonds

About 8-chloro-3,6-dimethylquinoline;ethane

8-chloro-3,6-dimethylquinoline;ethane (PubChem CID 169233999) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 8-chloro-3,6-dimethylquinoline;ethane.

Molecular Properties

Compound Name8-chloro-3,6-dimethylquinoline;ethane
PubChem CID169233999
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name8-chloro-3,6-dimethylquinoline;ethane
SMILESCC.Cc1cnc2c(Cl)cc(C)cc2c1
InChIInChI=1S/C11H10ClN.C2H6/c1-7-3-9-4-8(2)6-13-11(9)10(12)5-7;1-2/h3-6H,1-2H3;1-2H3
InChIKeyAAXUMPQMWJJKHK-UHFFFAOYSA-N
XLogP4.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6,8-trimethylquinoline
CID 15109946
3,8-dimethyl-1,10-phenanthroline
CID 159392628
1-(7-chloro-3-methylquinolin-8-yl)ethanone;ethane
CID 145100287
3,8-dimethyl-1,7-naphthyridine;ethane
CID 142388787
N-tert-butyl-6-chloro-3-methyl-1,7-naphthyridin-8-amine
CID 165046300
ethane;3-methylquinolin-8-ol
CID 143422090
7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride
CID 174825342
3-chloro-2-methoxy-5-methylpyridine;methanamine
CID 163239681
methyl 7-chloro-3-methylquinoline-8-carboxylate
CID 21278643
(7-chloro-3-methylquinolin-8-yl) hydrogen carbonate
CID 66867776
1-(3-chloro-5-methyl-2-pyridinyl)ethanamine
CID 172571190
7-chloro-3-methylquinoline
CID 23510375

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3,6-dimethylquinoline;ethane?
The IUPAC name of 8-chloro-3,6-dimethylquinoline;ethane (CID 169233999) is 8-chloro-3,6-dimethylquinoline;ethane.
What is the SMILES notation for 8-chloro-3,6-dimethylquinoline;ethane?
The canonical SMILES for 8-chloro-3,6-dimethylquinoline;ethane is CC.Cc1cnc2c(Cl)cc(C)cc2c1.
What is the InChIKey of 8-chloro-3,6-dimethylquinoline;ethane?
The InChIKey is AAXUMPQMWJJKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN.C2H6/c1-7-3-9-4-8(2)6-13-11(9)10(12)5-7;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of 8-chloro-3,6-dimethylquinoline;ethane?
8-chloro-3,6-dimethylquinoline;ethane has a molecular weight of 221.73 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3,6-dimethylquinoline;ethane is sourced from PubChem (CID 169233999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).