7,7-diethyl-6-methylidene-8,10-bis(trifluoromethyl)-7aH-benzo[a]quinolizine

C20H19F6N — CID 162590687

IUPAC7,7-diethyl-6-methylidene-8,10-bis(trifluoromethyl)-7aH-benzo[a]quinolizine
SMILESC=C1N2C=CC=CC2=C2C=C(C(F)(F)F)C=C(C(F)(F)F)C2C1(CC)CC
InChIInChI=1S/C20H19F6N/c1-4-18(5-2)12(3)27-9-7-6-8-16(27)14-10-13(19(21,22)23)11-15(17(14)18)20(24,25)26/h6-11,17H,3-5H2,1-2H3
InChIKeyPGLWFCLLAJFRGS-UHFFFAOYSA-N
MW387.37 g/mol
LogP6.57
Rot. Bonds2

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

7,7-diethyl-6-methylidene-8,10-bis(trifluoromethyl)-7aH-benzo[a]quinolizine (PubChem CID 162590687) has the molecular formula C20H19F6N and a molecular weight of 387.37 g/mol. Its IUPAC name is 7,7-diethyl-6-methylidene-8,10-bis(trifluoromethyl)-7aH-benzo[a]quinolizine.

Molecular Properties

Compound Name7,7-diethyl-6-methylidene-8,10-bis(trifluoromethyl)-7aH-benzo[a]quinolizine
PubChem CID162590687
Molecular FormulaC20H19F6N
Molecular Weight387.37 g/mol
Exact Mass387.14
IUPAC Name7,7-diethyl-6-methylidene-8,10-bis(trifluoromethyl)-7aH-benzo[a]quinolizine
SMILESC=C1N2C=CC=CC2=C2C=C(C(F)(F)F)C=C(C(F)(F)F)C2C1(CC)CC
InChIInChI=1S/C20H19F6N/c1-4-18(5-2)12(3)27-9-7-6-8-16(27)14-10-13(19(21,22)23)11-15(17(14)18)20(24,25)26/h6-11,17H,3-5H2,1-2H3
InChIKeyPGLWFCLLAJFRGS-UHFFFAOYSA-N
XLogP6.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.37
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7,7-diethyl-6-methylidene-8,10-bis(trifluoromethyl)-7aH-benzo[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

Related Compounds

1,2,4,4-Tetramethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-3-(3,3,3-trifluoroprop-1-en-2-yl)-2,3-dihydropyridin-1-ium
CID 123826438
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-3-[(6-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylideneocta-1,3,6-trien-2-amine
CID 132123933
(3Z,6Z)-N-[(4,4-dimethylcyclohex-2-en-1-yl)methyl]-N-ethyl-3-[(Z)-1-fluoro-3-methyl-2-methylidenepent-3-enylidene]-4-methylnona-1,6,8-trien-2-amine
CID 132124064
4-(3,5-dimethylcyclohexa-2,4-dien-1-yl)-3-methyl-7-prop-1-en-2-yl-9-(trifluoromethyl)-6,6a,10a,10b-tetrahydro-4H-benzo[f]isoquinoline
CID 166812470
4-tert-butyl-1-[(4E,6Z)-4-(1,1-difluoroethyl)-3-methylideneocta-1,4,6-trien-2-yl]piperidine
CID 170229587
11,11-Diethyl-14-fluoro-5-(trifluoromethyl)-7-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,12,14-pentaene
CID 162549812
2-[6-(3-Ethylpent-1-en-3-yl)-4-fluorocyclohexa-2,4-dien-1-ylidene]-1-methyl-5-(trifluoromethyl)pyridine
CID 162550411
7,7-Diethyl-8,10-bis(trifluoromethyl)-6,7a-dihydrobenzo[a]quinolizine
CID 162552090
6,6-Diethyl-8,10-bis(trifluoromethyl)-7,11-dihydrobenzo[a]quinolizine
CID 162569409
6,9,12,12,17-Pentamethyl-13,13-bis(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1,3,5,7,10,14(18),15-heptaene
CID 162573413
7-ethenyl-9,11-difluoro-2,6,6,7-tetramethyl-8,10-bis(trifluoromethyl)-7aH-benzo[a]quinolizine
CID 162574829
10-Fluoro-8-(trifluoromethyl)-1-azatetracyclo[10.4.0.02,5.06,11]hexadeca-3,7,9,11,13,15-hexaene
CID 162575710

Frequently Asked Questions

What is the IUPAC name of 7,7-diethyl-6-methylidene-8,10-bis(trifluoromethyl)-7aH-benzo[a]quinolizine?
The IUPAC name of 7,7-diethyl-6-methylidene-8,10-bis(trifluoromethyl)-7aH-benzo[a]quinolizine (CID 162590687) is 7,7-diethyl-6-methylidene-8,10-bis(trifluoromethyl)-7aH-benzo[a]quinolizine.
What is the SMILES notation for 7,7-diethyl-6-methylidene-8,10-bis(trifluoromethyl)-7aH-benzo[a]quinolizine?
The canonical SMILES for 7,7-diethyl-6-methylidene-8,10-bis(trifluoromethyl)-7aH-benzo[a]quinolizine is C=C1N2C=CC=CC2=C2C=C(C(F)(F)F)C=C(C(F)(F)F)C2C1(CC)CC.
What is the InChIKey of 7,7-diethyl-6-methylidene-8,10-bis(trifluoromethyl)-7aH-benzo[a]quinolizine?
The InChIKey is PGLWFCLLAJFRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6N/c1-4-18(5-2)12(3)27-9-7-6-8-16(27)14-10-13(19(21,22)23)11-15(17(14)18)20(24,25)26/h6-11,17H,3-5H2,1-2H3.
What are the key properties of 7,7-diethyl-6-methylidene-8,10-bis(trifluoromethyl)-7aH-benzo[a]quinolizine?
7,7-diethyl-6-methylidene-8,10-bis(trifluoromethyl)-7aH-benzo[a]quinolizine has a molecular weight of 387.37 g/mol, XLogP of 6.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diethyl-6-methylidene-8,10-bis(trifluoromethyl)-7aH-benzo[a]quinolizine is sourced from PubChem (CID 162590687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).