10-ethyl-9-(methoxymethyl)-2-methylidene-3-prop-1-en-2-yl-6-(2,2,2-trifluoroethyl)-6,7-dihydrobenzo[a]quinolizine

C23H26F3NO — CID 134425852

IUPAC10-ethyl-9-(methoxymethyl)-2-methylidene-3-prop-1-en-2-yl-6-(2,2,2-trifluoroethyl)-6,7-dihydrobenzo[a]quinolizine
SMILESC=C(C)C1=CN2C(=CC1=C)c1cc(CC)c(COC)cc1CC2CC(F)(F)F
InChIInChI=1S/C23H26F3NO/c1-6-16-10-20-17(8-18(16)13-28-5)9-19(11-23(24,25)26)27-12-21(14(2)3)15(4)7-22(20)27/h7-8,10,12,19H,2,4,6,9,11,13H2,1,3,5H3
InChIKeyRGIMVZMZVVUFMR-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.95
Rot. Bonds5

About 10-ethyl-9-(methoxymethyl)-2-methylidene-3-prop-1-en-2-yl-6-(2,2,2-trifluoroethyl)-6,7-dihydrobenzo[a]quinolizine

10-ethyl-9-(methoxymethyl)-2-methylidene-3-prop-1-en-2-yl-6-(2,2,2-trifluoroethyl)-6,7-dihydrobenzo[a]quinolizine (PubChem CID 134425852) has the molecular formula C23H26F3NO and a molecular weight of 389.46 g/mol. Its IUPAC name is 10-ethyl-9-(methoxymethyl)-2-methylidene-3-prop-1-en-2-yl-6-(2,2,2-trifluoroethyl)-6,7-dihydrobenzo[a]quinolizine.

Molecular Properties

Compound Name10-ethyl-9-(methoxymethyl)-2-methylidene-3-prop-1-en-2-yl-6-(2,2,2-trifluoroethyl)-6,7-dihydrobenzo[a]quinolizine
PubChem CID134425852
Molecular FormulaC23H26F3NO
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name10-ethyl-9-(methoxymethyl)-2-methylidene-3-prop-1-en-2-yl-6-(2,2,2-trifluoroethyl)-6,7-dihydrobenzo[a]quinolizine
SMILESC=C(C)C1=CN2C(=CC1=C)c1cc(CC)c(COC)cc1CC2CC(F)(F)F
InChIInChI=1S/C23H26F3NO/c1-6-16-10-20-17(8-18(16)13-28-5)9-19(11-23(24,25)26)27-12-21(14(2)3)15(4)7-22(20)27/h7-8,10,12,19H,2,4,6,9,11,13H2,1,3,5H3
InChIKeyRGIMVZMZVVUFMR-UHFFFAOYSA-N
XLogP5.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-9-(methoxymethyl)-2-methylidene-3-prop-1-en-2-yl-6-(2,2,2-trifluoroethyl)-6,7-dihydrobenzo[a]quinolizine?
The IUPAC name of 10-ethyl-9-(methoxymethyl)-2-methylidene-3-prop-1-en-2-yl-6-(2,2,2-trifluoroethyl)-6,7-dihydrobenzo[a]quinolizine (CID 134425852) is 10-ethyl-9-(methoxymethyl)-2-methylidene-3-prop-1-en-2-yl-6-(2,2,2-trifluoroethyl)-6,7-dihydrobenzo[a]quinolizine.
What is the SMILES notation for 10-ethyl-9-(methoxymethyl)-2-methylidene-3-prop-1-en-2-yl-6-(2,2,2-trifluoroethyl)-6,7-dihydrobenzo[a]quinolizine?
The canonical SMILES for 10-ethyl-9-(methoxymethyl)-2-methylidene-3-prop-1-en-2-yl-6-(2,2,2-trifluoroethyl)-6,7-dihydrobenzo[a]quinolizine is C=C(C)C1=CN2C(=CC1=C)c1cc(CC)c(COC)cc1CC2CC(F)(F)F.
What is the InChIKey of 10-ethyl-9-(methoxymethyl)-2-methylidene-3-prop-1-en-2-yl-6-(2,2,2-trifluoroethyl)-6,7-dihydrobenzo[a]quinolizine?
The InChIKey is RGIMVZMZVVUFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3NO/c1-6-16-10-20-17(8-18(16)13-28-5)9-19(11-23(24,25)26)27-12-21(14(2)3)15(4)7-22(20)27/h7-8,10,12,19H,2,4,6,9,11,13H2,1,3,5H3.
What are the key properties of 10-ethyl-9-(methoxymethyl)-2-methylidene-3-prop-1-en-2-yl-6-(2,2,2-trifluoroethyl)-6,7-dihydrobenzo[a]quinolizine?
10-ethyl-9-(methoxymethyl)-2-methylidene-3-prop-1-en-2-yl-6-(2,2,2-trifluoroethyl)-6,7-dihydrobenzo[a]quinolizine has a molecular weight of 389.46 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-9-(methoxymethyl)-2-methylidene-3-prop-1-en-2-yl-6-(2,2,2-trifluoroethyl)-6,7-dihydrobenzo[a]quinolizine is sourced from PubChem (CID 134425852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).