[1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate

C17H23NO3 — CID 19690328

IUPAC[1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate
SMILESCC(=O)OC(C)C(=O)N1c2ccccc2C(C)CC1(C)C
InChIInChI=1S/C17H23NO3/c1-11-10-17(4,5)18(15-9-7-6-8-14(11)15)16(20)12(2)21-13(3)19/h6-9,11-12H,10H2,1-5H3
InChIKeyVWEYLSMOXMFJLY-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.26
Rot. Bonds2

About [1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate

[1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate (PubChem CID 19690328) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is [1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate.

Molecular Properties

Compound Name[1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate
PubChem CID19690328
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name[1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate
SMILESCC(=O)OC(C)C(=O)N1c2ccccc2C(C)CC1(C)C
InChIInChI=1S/C17H23NO3/c1-11-10-17(4,5)18(15-9-7-6-8-14(11)15)16(20)12(2)21-13(3)19/h6-9,11-12H,10H2,1-5H3
InChIKeyVWEYLSMOXMFJLY-UHFFFAOYSA-N
XLogP3.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate?
The IUPAC name of [1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate (CID 19690328) is [1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate.
What is the SMILES notation for [1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate?
The canonical SMILES for [1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate is CC(=O)OC(C)C(=O)N1c2ccccc2C(C)CC1(C)C.
What is the InChIKey of [1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate?
The InChIKey is VWEYLSMOXMFJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11-10-17(4,5)18(15-9-7-6-8-14(11)15)16(20)12(2)21-13(3)19/h6-9,11-12H,10H2,1-5H3.
What are the key properties of [1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate?
[1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate has a molecular weight of 289.38 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate is sourced from PubChem (CID 19690328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).