8-chloroquinoline;ethane

C11H12ClN — CID 142246255

IUPAC8-chloroquinoline;ethane
SMILESCC.Clc1cccc2cccnc12
InChIInChI=1S/C9H6ClN.C2H6/c10-8-5-1-3-7-4-2-6-11-9(7)8;1-2/h1-6H;1-2H3
InChIKeyVNLJYQDBVSEFLY-UHFFFAOYSA-N
MW193.68 g/mol
LogP3.91
Rot. Bonds

About 8-chloroquinoline;ethane

8-chloroquinoline;ethane (PubChem CID 142246255) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 8-chloroquinoline;ethane.

Molecular Properties

Compound Name8-chloroquinoline;ethane
PubChem CID142246255
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name8-chloroquinoline;ethane
SMILESCC.Clc1cccc2cccnc12
InChIInChI=1S/C9H6ClN.C2H6/c10-8-5-1-3-7-4-2-6-11-9(7)8;1-2/h1-6H;1-2H3
InChIKeyVNLJYQDBVSEFLY-UHFFFAOYSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-chloroquinoline;1H-pyrazol-5-amine
CID 175233770
ethane;quinolin-8-amine
CID 91158659
bis(8-chloroquinoline);(2,3,4,5,6-pentafluorophenoxy)boronic acid
CID 172821560
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
(3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine
CID 107102903
2-chloroaniline;quinolin-8-ol
CID 70504979
methanol;quinolin-8-ol
CID 161490698
8-(2,4,6-trichlorophenyl)quinoline
CID 126516412
7-chloroquinoline-8-thiol
CID 86200292
8-chloro-6H-quinolin-6-ide;tungsten
CID 154657866
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745

Frequently Asked Questions

What is the IUPAC name of 8-chloroquinoline;ethane?
The IUPAC name of 8-chloroquinoline;ethane (CID 142246255) is 8-chloroquinoline;ethane.
What is the SMILES notation for 8-chloroquinoline;ethane?
The canonical SMILES for 8-chloroquinoline;ethane is CC.Clc1cccc2cccnc12.
What is the InChIKey of 8-chloroquinoline;ethane?
The InChIKey is VNLJYQDBVSEFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN.C2H6/c10-8-5-1-3-7-4-2-6-11-9(7)8;1-2/h1-6H;1-2H3.
What are the key properties of 8-chloroquinoline;ethane?
8-chloroquinoline;ethane has a molecular weight of 193.68 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloroquinoline;ethane is sourced from PubChem (CID 142246255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).