1-[(4S)-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone

C15H21NO2 — CID 164641730

IUPAC1-[(4S)-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone
SMILESCOc1ccc2c(c1)N(C(C)=O)C(C)(C)C[C@@H]2C
InChIInChI=1S/C15H21NO2/c1-10-9-15(3,4)16(11(2)17)14-8-12(18-5)6-7-13(10)14/h6-8,10H,9H2,1-5H3/t10-/m0/s1
InChIKeyYPMIFRIZLOXFCY-JTQLQIEISA-N
MW247.34 g/mol
LogP3.33
Rot. Bonds1

About 1-[(4S)-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone

1-[(4S)-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone (PubChem CID 164641730) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(4S)-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4S)-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone
PubChem CID164641730
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[(4S)-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone
SMILESCOc1ccc2c(c1)N(C(C)=O)C(C)(C)C[C@@H]2C
InChIInChI=1S/C15H21NO2/c1-10-9-15(3,4)16(11(2)17)14-8-12(18-5)6-7-13(10)14/h6-8,10H,9H2,1-5H3/t10-/m0/s1
InChIKeyYPMIFRIZLOXFCY-JTQLQIEISA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone?
The IUPAC name of 1-[(4S)-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone (CID 164641730) is 1-[(4S)-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(4S)-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone?
The canonical SMILES for 1-[(4S)-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone is COc1ccc2c(c1)N(C(C)=O)C(C)(C)C[C@@H]2C.
What is the InChIKey of 1-[(4S)-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone?
The InChIKey is YPMIFRIZLOXFCY-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-9-15(3,4)16(11(2)17)14-8-12(18-5)6-7-13(10)14/h6-8,10H,9H2,1-5H3/t10-/m0/s1.
What are the key properties of 1-[(4S)-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone?
1-[(4S)-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone is sourced from PubChem (CID 164641730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).