2-ethenyl-1-ethyl-2H-quinoline

C13H15N — CID 130346368

IUPAC2-ethenyl-1-ethyl-2H-quinoline
SMILESC=CC1C=Cc2ccccc2N1CC
InChIInChI=1S/C13H15N/c1-3-12-10-9-11-7-5-6-8-13(11)14(12)4-2/h3,5-10,12H,1,4H2,2H3
InChIKeyPQLGQBJWDXKYBP-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.09
Rot. Bonds2

About 2-ethenyl-1-ethyl-2H-quinoline

2-ethenyl-1-ethyl-2H-quinoline (PubChem CID 130346368) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-ethenyl-1-ethyl-2H-quinoline.

Molecular Properties

Compound Name2-ethenyl-1-ethyl-2H-quinoline
PubChem CID130346368
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2-ethenyl-1-ethyl-2H-quinoline
SMILESC=CC1C=Cc2ccccc2N1CC
InChIInChI=1S/C13H15N/c1-3-12-10-9-11-7-5-6-8-13(11)14(12)4-2/h3,5-10,12H,1,4H2,2H3
InChIKeyPQLGQBJWDXKYBP-UHFFFAOYSA-N
XLogP3.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-ethyl-2H-quinoline?
The IUPAC name of 2-ethenyl-1-ethyl-2H-quinoline (CID 130346368) is 2-ethenyl-1-ethyl-2H-quinoline.
What is the SMILES notation for 2-ethenyl-1-ethyl-2H-quinoline?
The canonical SMILES for 2-ethenyl-1-ethyl-2H-quinoline is C=CC1C=Cc2ccccc2N1CC.
What is the InChIKey of 2-ethenyl-1-ethyl-2H-quinoline?
The InChIKey is PQLGQBJWDXKYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-3-12-10-9-11-7-5-6-8-13(11)14(12)4-2/h3,5-10,12H,1,4H2,2H3.
What are the key properties of 2-ethenyl-1-ethyl-2H-quinoline?
2-ethenyl-1-ethyl-2H-quinoline has a molecular weight of 185.27 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-ethyl-2H-quinoline is sourced from PubChem (CID 130346368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).