1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate

C16H23NO2 — CID 3017456

IUPAC1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate
SMILESCC(=O)OC(C)N1c2ccccc2C(C)CC1(C)C
InChIInChI=1S/C16H23NO2/c1-11-10-16(4,5)17(12(2)19-13(3)18)15-9-7-6-8-14(11)15/h6-9,11-12H,10H2,1-5H3
InChIKeyHBIZVJQJSHSAGS-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.69
Rot. Bonds2

About 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate

1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate (PubChem CID 3017456) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate.

Molecular Properties

Compound Name1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate
PubChem CID3017456
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate
SMILESCC(=O)OC(C)N1c2ccccc2C(C)CC1(C)C
InChIInChI=1S/C16H23NO2/c1-11-10-16(4,5)17(12(2)19-13(3)18)15-9-7-6-8-14(11)15/h6-9,11-12H,10H2,1-5H3
InChIKeyHBIZVJQJSHSAGS-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate?
The IUPAC name of 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate (CID 3017456) is 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate.
What is the SMILES notation for 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate?
The canonical SMILES for 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate is CC(=O)OC(C)N1c2ccccc2C(C)CC1(C)C.
What is the InChIKey of 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate?
The InChIKey is HBIZVJQJSHSAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-10-16(4,5)17(12(2)19-13(3)18)15-9-7-6-8-14(11)15/h6-9,11-12H,10H2,1-5H3.
What are the key properties of 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate?
1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate has a molecular weight of 261.37 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate is sourced from PubChem (CID 3017456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).