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

C14H19NO — CID 71106683

IUPAC1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCC(C)c2ccccc21
InChIInChI=1S/C14H19NO/c1-3-6-14(16)15-10-9-11(2)12-7-4-5-8-13(12)15/h4-5,7-8,11H,3,6,9-10H2,1-2H3
InChIKeyMLYCBDHUUDNDAE-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.33
Rot. Bonds2

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

1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (PubChem CID 71106683) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
PubChem CID71106683
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCC(C)c2ccccc21
InChIInChI=1S/C14H19NO/c1-3-6-14(16)15-10-9-11(2)12-7-4-5-8-13(12)15/h4-5,7-8,11H,3,6,9-10H2,1-2H3
InChIKeyMLYCBDHUUDNDAE-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-(ethylamino)-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 113266315
2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119733412
1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one
CID 71107498
3-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 51983418
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119733415
5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide
CID 97305910
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 55677294
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119733429
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 63235305
2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 75504724
2-(1,3-benzodioxol-5-yl)-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 71938374
3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110746234

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The IUPAC name of 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (CID 71106683) is 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.
What is the SMILES notation for 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The canonical SMILES for 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is CCCC(=O)N1CCC(C)c2ccccc21.
What is the InChIKey of 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The InChIKey is MLYCBDHUUDNDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-6-14(16)15-10-9-11(2)12-7-4-5-8-13(12)15/h4-5,7-8,11H,3,6,9-10H2,1-2H3.
What are the key properties of 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one has a molecular weight of 217.31 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is sourced from PubChem (CID 71106683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).