6-chloro-7-ethenyl-3-ethylquinoline

C13H12ClN — CID 174912236

IUPAC6-chloro-7-ethenyl-3-ethylquinoline
SMILESC=Cc1cc2ncc(CC)cc2cc1Cl
InChIInChI=1S/C13H12ClN/c1-3-9-5-11-6-12(14)10(4-2)7-13(11)15-8-9/h4-8H,2-3H2,1H3
InChIKeyDKYWVHNTCDUNDZ-UHFFFAOYSA-N
MW217.70 g/mol
LogP4.09
Rot. Bonds2

About 6-chloro-7-ethenyl-3-ethylquinoline

6-chloro-7-ethenyl-3-ethylquinoline (PubChem CID 174912236) has the molecular formula C13H12ClN and a molecular weight of 217.70 g/mol. Its IUPAC name is 6-chloro-7-ethenyl-3-ethylquinoline.

Molecular Properties

Compound Name6-chloro-7-ethenyl-3-ethylquinoline
PubChem CID174912236
Molecular FormulaC13H12ClN
Molecular Weight217.70 g/mol
Exact Mass217.07
IUPAC Name6-chloro-7-ethenyl-3-ethylquinoline
SMILESC=Cc1cc2ncc(CC)cc2cc1Cl
InChIInChI=1S/C13H12ClN/c1-3-9-5-11-6-12(14)10(4-2)7-13(11)15-8-9/h4-8H,2-3H2,1H3
InChIKeyDKYWVHNTCDUNDZ-UHFFFAOYSA-N
XLogP4.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-ethenyl-3-ethylquinoline?
The IUPAC name of 6-chloro-7-ethenyl-3-ethylquinoline (CID 174912236) is 6-chloro-7-ethenyl-3-ethylquinoline.
What is the SMILES notation for 6-chloro-7-ethenyl-3-ethylquinoline?
The canonical SMILES for 6-chloro-7-ethenyl-3-ethylquinoline is C=Cc1cc2ncc(CC)cc2cc1Cl.
What is the InChIKey of 6-chloro-7-ethenyl-3-ethylquinoline?
The InChIKey is DKYWVHNTCDUNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN/c1-3-9-5-11-6-12(14)10(4-2)7-13(11)15-8-9/h4-8H,2-3H2,1H3.
What are the key properties of 6-chloro-7-ethenyl-3-ethylquinoline?
6-chloro-7-ethenyl-3-ethylquinoline has a molecular weight of 217.70 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-ethenyl-3-ethylquinoline is sourced from PubChem (CID 174912236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).