1,4-diethyl-3,4-dihydro-2H-quinoline

C13H19N — CID 90169118

IUPAC1,4-diethyl-3,4-dihydro-2H-quinoline
SMILESCCC1CCN(CC)c2ccccc21
InChIInChI=1S/C13H19N/c1-3-11-9-10-14(4-2)13-8-6-5-7-12(11)13/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyISYJRMMBYRYORB-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.41
Rot. Bonds2

About 1,4-diethyl-3,4-dihydro-2H-quinoline

1,4-diethyl-3,4-dihydro-2H-quinoline (PubChem CID 90169118) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1,4-diethyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1,4-diethyl-3,4-dihydro-2H-quinoline
PubChem CID90169118
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1,4-diethyl-3,4-dihydro-2H-quinoline
SMILESCCC1CCN(CC)c2ccccc21
InChIInChI=1S/C13H19N/c1-3-11-9-10-14(4-2)13-8-6-5-7-12(11)13/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyISYJRMMBYRYORB-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1,4-diethyl-3,4-dihydro-2H-quinoline (CID 90169118) is 1,4-diethyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1,4-diethyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1,4-diethyl-3,4-dihydro-2H-quinoline is CCC1CCN(CC)c2ccccc21.
What is the InChIKey of 1,4-diethyl-3,4-dihydro-2H-quinoline?
The InChIKey is ISYJRMMBYRYORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-11-9-10-14(4-2)13-8-6-5-7-12(11)13/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 1,4-diethyl-3,4-dihydro-2H-quinoline?
1,4-diethyl-3,4-dihydro-2H-quinoline has a molecular weight of 189.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 90169118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).