4-chloroquinoline;ethane

C11H12ClN — CID 91461667

IUPAC4-chloroquinoline;ethane
SMILESCC.Clc1ccnc2ccccc12
InChIInChI=1S/C9H6ClN.C2H6/c10-8-5-6-11-9-4-2-1-3-7(8)9;1-2/h1-6H;1-2H3
InChIKeyKHFBOKXZMDTTBV-UHFFFAOYSA-N
MW193.68 g/mol
LogP3.91
Rot. Bonds

About 4-chloroquinoline;ethane

4-chloroquinoline;ethane (PubChem CID 91461667) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 4-chloroquinoline;ethane.

Molecular Properties

Compound Name4-chloroquinoline;ethane
PubChem CID91461667
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name4-chloroquinoline;ethane
SMILESCC.Clc1ccnc2ccccc12
InChIInChI=1S/C9H6ClN.C2H6/c10-8-5-6-11-9-4-2-1-3-7(8)9;1-2/h1-6H;1-2H3
InChIKeyKHFBOKXZMDTTBV-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

azanide;carbanide;4-chloroquinoline;ethane;4-methanidylquinoline;bis(yttrium)
CID 161482167
ethane;4-methylquinoline
CID 90853056
argon;4-methylquinoline
CID 175059803
iodomethane;4-methylquinoline
CID 161278358
4,7-dichloroquinoline
CID 6866
trichloro(quinolin-4-yl)silane
CID 119089813
bis(4-tert-butylquinoline);ethane;methane
CID 158221775
4-chloro-6-methylquinoline;hydrobromide
CID 163342564
4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline
CID 5478230
(2-chlorophenyl)-quinolin-4-ylmethanamine
CID 105099870
4-[(2-chlorophenoxy)methyl]quinoline
CID 79241295
4-chloro-6-phenoxyquinoline
CID 43531961

Frequently Asked Questions

What is the IUPAC name of 4-chloroquinoline;ethane?
The IUPAC name of 4-chloroquinoline;ethane (CID 91461667) is 4-chloroquinoline;ethane.
What is the SMILES notation for 4-chloroquinoline;ethane?
The canonical SMILES for 4-chloroquinoline;ethane is CC.Clc1ccnc2ccccc12.
What is the InChIKey of 4-chloroquinoline;ethane?
The InChIKey is KHFBOKXZMDTTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN.C2H6/c10-8-5-6-11-9-4-2-1-3-7(8)9;1-2/h1-6H;1-2H3.
What are the key properties of 4-chloroquinoline;ethane?
4-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 4-chloroquinoline;ethane is sourced from PubChem (CID 91461667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).