7,7-diethyl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine

C19H19F6N — CID 162552090

IUPAC7,7-diethyl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine
SMILESCCC1(CC)CN2C=CC=CC2=C2C=C(C(F)(F)F)C=C(C(F)(F)F)C21
InChIInChI=1S/C19H19F6N/c1-3-17(4-2)11-26-8-6-5-7-15(26)13-9-12(18(20,21)22)10-14(16(13)17)19(23,24)25/h5-10,16H,3-4,11H2,1-2H3
InChIKeyYESFQCKHFPEGJN-UHFFFAOYSA-N
MW375.36 g/mol
LogP6.05
Rot. Bonds2

About 7,7-diethyl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine

7,7-diethyl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine (PubChem CID 162552090) has the molecular formula C19H19F6N and a molecular weight of 375.36 g/mol. Its IUPAC name is 7,7-diethyl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine.

Molecular Properties

Compound Name7,7-diethyl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine
PubChem CID162552090
Molecular FormulaC19H19F6N
Molecular Weight375.36 g/mol
Exact Mass375.14
IUPAC Name7,7-diethyl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine
SMILESCCC1(CC)CN2C=CC=CC2=C2C=C(C(F)(F)F)C=C(C(F)(F)F)C21
InChIInChI=1S/C19H19F6N/c1-3-17(4-2)11-26-8-6-5-7-15(26)13-9-12(18(20,21)22)10-14(16(13)17)19(23,24)25/h5-10,16H,3-4,11H2,1-2H3
InChIKeyYESFQCKHFPEGJN-UHFFFAOYSA-N
XLogP6.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.36
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7,7-diethyl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,7-diethyl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine?
The IUPAC name of 7,7-diethyl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine (CID 162552090) is 7,7-diethyl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine.
What is the SMILES notation for 7,7-diethyl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine?
The canonical SMILES for 7,7-diethyl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine is CCC1(CC)CN2C=CC=CC2=C2C=C(C(F)(F)F)C=C(C(F)(F)F)C21.
What is the InChIKey of 7,7-diethyl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine?
The InChIKey is YESFQCKHFPEGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F6N/c1-3-17(4-2)11-26-8-6-5-7-15(26)13-9-12(18(20,21)22)10-14(16(13)17)19(23,24)25/h5-10,16H,3-4,11H2,1-2H3.
What are the key properties of 7,7-diethyl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine?
7,7-diethyl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine has a molecular weight of 375.36 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diethyl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine is sourced from PubChem (CID 162552090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).