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

C14H18NO2- — CID 20695985

IUPAC2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate
SMILESCC1CC(C)(C)N(CC(=O)[O-])c2ccccc21
InChIInChI=1S/C14H19NO2/c1-10-8-14(2,3)15(9-13(16)17)12-7-5-4-6-11(10)12/h4-7,10H,8-9H2,1-3H3,(H,16,17)/p-1
InChIKeyNQOGQDUCYDCNCD-UHFFFAOYSA-M
MW232.30 g/mol
LogP1.53
Rot. Bonds2

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

2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate (PubChem CID 20695985) has the molecular formula C14H18NO2- and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate.

Molecular Properties

Compound Name2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate
PubChem CID20695985
Molecular FormulaC14H18NO2-
Molecular Weight232.30 g/mol
Exact Mass232.13
IUPAC Name2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate
SMILESCC1CC(C)(C)N(CC(=O)[O-])c2ccccc21
InChIInChI=1S/C14H19NO2/c1-10-8-14(2,3)15(9-13(16)17)12-7-5-4-6-11(10)12/h4-7,10H,8-9H2,1-3H3,(H,16,17)/p-1
InChIKeyNQOGQDUCYDCNCD-UHFFFAOYSA-M
XLogP1.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate?
The IUPAC name of 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate (CID 20695985) is 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate.
What is the SMILES notation for 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate?
The canonical SMILES for 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate is CC1CC(C)(C)N(CC(=O)[O-])c2ccccc21.
What is the InChIKey of 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate?
The InChIKey is NQOGQDUCYDCNCD-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19NO2/c1-10-8-14(2,3)15(9-13(16)17)12-7-5-4-6-11(10)12/h4-7,10H,8-9H2,1-3H3,(H,16,17)/p-1.
What are the key properties of 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate?
2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate has a molecular weight of 232.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate is sourced from PubChem (CID 20695985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).