1-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanone

C15H21NO — CID 133064515

IUPAC1-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanone
SMILESCC(=O)N1c2cc(C)ccc2C(C)CC1(C)C
InChIInChI=1S/C15H21NO/c1-10-6-7-13-11(2)9-15(4,5)16(12(3)17)14(13)8-10/h6-8,11H,9H2,1-5H3
InChIKeySBZHMJPCGSXTKR-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.63
Rot. Bonds

About 1-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanone

1-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanone (PubChem CID 133064515) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanone
PubChem CID133064515
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanone
SMILESCC(=O)N1c2cc(C)ccc2C(C)CC1(C)C
InChIInChI=1S/C15H21NO/c1-10-6-7-13-11(2)9-15(4,5)16(12(3)17)14(13)8-10/h6-8,11H,9H2,1-5H3
InChIKeySBZHMJPCGSXTKR-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanone?
The IUPAC name of 1-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanone (CID 133064515) is 1-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanone.
What is the SMILES notation for 1-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanone?
The canonical SMILES for 1-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanone is CC(=O)N1c2cc(C)ccc2C(C)CC1(C)C.
What is the InChIKey of 1-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanone?
The InChIKey is SBZHMJPCGSXTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-6-7-13-11(2)9-15(4,5)16(12(3)17)14(13)8-10/h6-8,11H,9H2,1-5H3.
What are the key properties of 1-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanone?
1-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanone has a molecular weight of 231.34 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanone is sourced from PubChem (CID 133064515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).