1-ethylbenzo[de]quinoline

C14H13N — CID 68936236

IUPAC1-ethylbenzo[de]quinoline
SMILESCCN1C=Cc2cccc3cccc1c23
InChIInChI=1S/C14H13N/c1-2-15-10-9-12-6-3-5-11-7-4-8-13(15)14(11)12/h3-10H,2H2,1H3
InChIKeyDWSXHKGANJOZRV-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.65
Rot. Bonds1

About 1-ethylbenzo[de]quinoline

1-ethylbenzo[de]quinoline (PubChem CID 68936236) has the molecular formula C14H13N and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-ethylbenzo[de]quinoline.

Molecular Properties

Compound Name1-ethylbenzo[de]quinoline
PubChem CID68936236
Molecular FormulaC14H13N
Molecular Weight195.26 g/mol
Exact Mass195.10
IUPAC Name1-ethylbenzo[de]quinoline
SMILESCCN1C=Cc2cccc3cccc1c23
InChIInChI=1S/C14H13N/c1-2-15-10-9-12-6-3-5-11-7-4-8-13(15)14(11)12/h3-10H,2H2,1H3
InChIKeyDWSXHKGANJOZRV-UHFFFAOYSA-N
XLogP3.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylbenzo[de]quinoline?
The IUPAC name of 1-ethylbenzo[de]quinoline (CID 68936236) is 1-ethylbenzo[de]quinoline.
What is the SMILES notation for 1-ethylbenzo[de]quinoline?
The canonical SMILES for 1-ethylbenzo[de]quinoline is CCN1C=Cc2cccc3cccc1c23.
What is the InChIKey of 1-ethylbenzo[de]quinoline?
The InChIKey is DWSXHKGANJOZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-2-15-10-9-12-6-3-5-11-7-4-8-13(15)14(11)12/h3-10H,2H2,1H3.
What are the key properties of 1-ethylbenzo[de]quinoline?
1-ethylbenzo[de]quinoline has a molecular weight of 195.26 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylbenzo[de]quinoline is sourced from PubChem (CID 68936236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).