4-ethyl-2-methyl-7-(trifluoromethyl)-3,4,6,7-tetrahydro-2H-quinolizine

C13H18F3N — CID 162593245

IUPAC4-ethyl-2-methyl-7-(trifluoromethyl)-3,4,6,7-tetrahydro-2H-quinolizine
SMILESCCC1CC(C)C=C2C=CC(C(F)(F)F)CN21
InChIInChI=1S/C13H18F3N/c1-3-11-6-9(2)7-12-5-4-10(8-17(11)12)13(14,15)16/h4-5,7,9-11H,3,6,8H2,1-2H3
InChIKeyXHHHFAKSDDKDPW-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.74
Rot. Bonds1

About 4-ethyl-2-methyl-7-(trifluoromethyl)-3,4,6,7-tetrahydro-2H-quinolizine

4-ethyl-2-methyl-7-(trifluoromethyl)-3,4,6,7-tetrahydro-2H-quinolizine (PubChem CID 162593245) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-ethyl-2-methyl-7-(trifluoromethyl)-3,4,6,7-tetrahydro-2H-quinolizine.

Molecular Properties

Compound Name4-ethyl-2-methyl-7-(trifluoromethyl)-3,4,6,7-tetrahydro-2H-quinolizine
PubChem CID162593245
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name4-ethyl-2-methyl-7-(trifluoromethyl)-3,4,6,7-tetrahydro-2H-quinolizine
SMILESCCC1CC(C)C=C2C=CC(C(F)(F)F)CN21
InChIInChI=1S/C13H18F3N/c1-3-11-6-9(2)7-12-5-4-10(8-17(11)12)13(14,15)16/h4-5,7,9-11H,3,6,8H2,1-2H3
InChIKeyXHHHFAKSDDKDPW-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-7-(trifluoromethyl)-3,4,6,7-tetrahydro-2H-quinolizine?
The IUPAC name of 4-ethyl-2-methyl-7-(trifluoromethyl)-3,4,6,7-tetrahydro-2H-quinolizine (CID 162593245) is 4-ethyl-2-methyl-7-(trifluoromethyl)-3,4,6,7-tetrahydro-2H-quinolizine.
What is the SMILES notation for 4-ethyl-2-methyl-7-(trifluoromethyl)-3,4,6,7-tetrahydro-2H-quinolizine?
The canonical SMILES for 4-ethyl-2-methyl-7-(trifluoromethyl)-3,4,6,7-tetrahydro-2H-quinolizine is CCC1CC(C)C=C2C=CC(C(F)(F)F)CN21.
What is the InChIKey of 4-ethyl-2-methyl-7-(trifluoromethyl)-3,4,6,7-tetrahydro-2H-quinolizine?
The InChIKey is XHHHFAKSDDKDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-3-11-6-9(2)7-12-5-4-10(8-17(11)12)13(14,15)16/h4-5,7,9-11H,3,6,8H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-7-(trifluoromethyl)-3,4,6,7-tetrahydro-2H-quinolizine?
4-ethyl-2-methyl-7-(trifluoromethyl)-3,4,6,7-tetrahydro-2H-quinolizine has a molecular weight of 245.29 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-7-(trifluoromethyl)-3,4,6,7-tetrahydro-2H-quinolizine is sourced from PubChem (CID 162593245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).