2,3-diethyl-7,11b-dihydro-6H-benzo[a]quinolizine

C17H21N — CID 146660727

IUPAC2,3-diethyl-7,11b-dihydro-6H-benzo[a]quinolizine
SMILESCCC1=CC2c3ccccc3CCN2C=C1CC
InChIInChI=1S/C17H21N/c1-3-13-11-17-16-8-6-5-7-15(16)9-10-18(17)12-14(13)4-2/h5-8,11-12,17H,3-4,9-10H2,1-2H3
InChIKeyQDAQYEPAMZXUCM-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.23
Rot. Bonds2

About 2,3-diethyl-7,11b-dihydro-6H-benzo[a]quinolizine

2,3-diethyl-7,11b-dihydro-6H-benzo[a]quinolizine (PubChem CID 146660727) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2,3-diethyl-7,11b-dihydro-6H-benzo[a]quinolizine.

Molecular Properties

Compound Name2,3-diethyl-7,11b-dihydro-6H-benzo[a]quinolizine
PubChem CID146660727
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2,3-diethyl-7,11b-dihydro-6H-benzo[a]quinolizine
SMILESCCC1=CC2c3ccccc3CCN2C=C1CC
InChIInChI=1S/C17H21N/c1-3-13-11-17-16-8-6-5-7-15(16)9-10-18(17)12-14(13)4-2/h5-8,11-12,17H,3-4,9-10H2,1-2H3
InChIKeyQDAQYEPAMZXUCM-UHFFFAOYSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-7,11b-dihydro-6H-benzo[a]quinolizine?
The IUPAC name of 2,3-diethyl-7,11b-dihydro-6H-benzo[a]quinolizine (CID 146660727) is 2,3-diethyl-7,11b-dihydro-6H-benzo[a]quinolizine.
What is the SMILES notation for 2,3-diethyl-7,11b-dihydro-6H-benzo[a]quinolizine?
The canonical SMILES for 2,3-diethyl-7,11b-dihydro-6H-benzo[a]quinolizine is CCC1=CC2c3ccccc3CCN2C=C1CC.
What is the InChIKey of 2,3-diethyl-7,11b-dihydro-6H-benzo[a]quinolizine?
The InChIKey is QDAQYEPAMZXUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-3-13-11-17-16-8-6-5-7-15(16)9-10-18(17)12-14(13)4-2/h5-8,11-12,17H,3-4,9-10H2,1-2H3.
What are the key properties of 2,3-diethyl-7,11b-dihydro-6H-benzo[a]quinolizine?
2,3-diethyl-7,11b-dihydro-6H-benzo[a]quinolizine has a molecular weight of 239.36 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-7,11b-dihydro-6H-benzo[a]quinolizine is sourced from PubChem (CID 146660727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).