1-(2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl)ethanone

C15H21NO — CID 118986554

IUPAC1-(2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl)ethanone
SMILESCC(=O)c1cc2c(cc1C)NC(C)(C)CC2C
InChIInChI=1S/C15H21NO/c1-9-6-14-13(7-12(9)11(3)17)10(2)8-15(4,5)16-14/h6-7,10,16H,8H2,1-5H3
InChIKeyDHVPHAXLFLPTMP-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.90
Rot. Bonds1

About 1-(2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl)ethanone

1-(2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl)ethanone (PubChem CID 118986554) 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-dihydro-1H-quinolin-6-yl)ethanone.

Molecular Properties

Compound Name1-(2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl)ethanone
PubChem CID118986554
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl)ethanone
SMILESCC(=O)c1cc2c(cc1C)NC(C)(C)CC2C
InChIInChI=1S/C15H21NO/c1-9-6-14-13(7-12(9)11(3)17)10(2)8-15(4,5)16-14/h6-7,10,16H,8H2,1-5H3
InChIKeyDHVPHAXLFLPTMP-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-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-dihydro-1H-quinolin-6-yl)ethanone?
The IUPAC name of 1-(2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl)ethanone (CID 118986554) is 1-(2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl)ethanone.
What is the SMILES notation for 1-(2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl)ethanone?
The canonical SMILES for 1-(2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl)ethanone is CC(=O)c1cc2c(cc1C)NC(C)(C)CC2C.
What is the InChIKey of 1-(2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl)ethanone?
The InChIKey is DHVPHAXLFLPTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-9-6-14-13(7-12(9)11(3)17)10(2)8-15(4,5)16-14/h6-7,10,16H,8H2,1-5H3.
What are the key properties of 1-(2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl)ethanone?
1-(2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl)ethanone has a molecular weight of 231.34 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl)ethanone is sourced from PubChem (CID 118986554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).