3,4-diethyl-4H-quinolizine

C13H17N — CID 135061843

IUPAC3,4-diethyl-4H-quinolizine
SMILESCCC1=CC=C2C=CC=CN2C1CC
InChIInChI=1S/C13H17N/c1-3-11-8-9-12-7-5-6-10-14(12)13(11)4-2/h5-10,13H,3-4H2,1-2H3
InChIKeyCSPQLWVZPOCAGE-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.38
Rot. Bonds2

About 3,4-diethyl-4H-quinolizine

3,4-diethyl-4H-quinolizine (PubChem CID 135061843) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 3,4-diethyl-4H-quinolizine.

Molecular Properties

Compound Name3,4-diethyl-4H-quinolizine
PubChem CID135061843
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name3,4-diethyl-4H-quinolizine
SMILESCCC1=CC=C2C=CC=CN2C1CC
InChIInChI=1S/C13H17N/c1-3-11-8-9-12-7-5-6-10-14(12)13(11)4-2/h5-10,13H,3-4H2,1-2H3
InChIKeyCSPQLWVZPOCAGE-UHFFFAOYSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-butyl-2-methyl-5-vinylpyridine
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1-Allyl-3,5-diethyl-2-propyl 1,2-dihydropyridine
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1,2-Dipropylpyridin
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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-4H-quinolizine?
The IUPAC name of 3,4-diethyl-4H-quinolizine (CID 135061843) is 3,4-diethyl-4H-quinolizine.
What is the SMILES notation for 3,4-diethyl-4H-quinolizine?
The canonical SMILES for 3,4-diethyl-4H-quinolizine is CCC1=CC=C2C=CC=CN2C1CC.
What is the InChIKey of 3,4-diethyl-4H-quinolizine?
The InChIKey is CSPQLWVZPOCAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-11-8-9-12-7-5-6-10-14(12)13(11)4-2/h5-10,13H,3-4H2,1-2H3.
What are the key properties of 3,4-diethyl-4H-quinolizine?
3,4-diethyl-4H-quinolizine has a molecular weight of 187.29 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-4H-quinolizine is sourced from PubChem (CID 135061843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).