3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one

C15H21NO — CID 79395357

IUPAC3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
SMILESCC(C)C(=O)CN1c2ccccc2CCC1C
InChIInChI=1S/C15H21NO/c1-11(2)15(17)10-16-12(3)8-9-13-6-4-5-7-14(13)16/h4-7,11-12H,8-10H2,1-3H3
InChIKeyJIVDVQILIFETSM-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.05
Rot. Bonds3

About 3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one

3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one (PubChem CID 79395357) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
PubChem CID79395357
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
SMILESCC(C)C(=O)CN1c2ccccc2CCC1C
InChIInChI=1S/C15H21NO/c1-11(2)15(17)10-16-12(3)8-9-13-6-4-5-7-14(13)16/h4-7,11-12H,8-10H2,1-3H3
InChIKeyJIVDVQILIFETSM-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone
CID 162353371
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 98553310
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8593706
N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18069905
2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 63028897
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide
CID 8724601
1-(4-hydroxyphenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;prop-1-ene
CID 143284760
N-(cyclopentylcarbamoyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 46802249
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 98716008
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154420
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 51930856

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one?
The IUPAC name of 3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one (CID 79395357) is 3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one.
What is the SMILES notation for 3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one?
The canonical SMILES for 3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one is CC(C)C(=O)CN1c2ccccc2CCC1C.
What is the InChIKey of 3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one?
The InChIKey is JIVDVQILIFETSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(2)15(17)10-16-12(3)8-9-13-6-4-5-7-14(13)16/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one?
3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one has a molecular weight of 231.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one is sourced from PubChem (CID 79395357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).