1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

C14H19NO — CID 60704653

IUPAC1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCCc2cccc(C)c21
InChIInChI=1S/C14H19NO/c1-3-6-13(16)15-10-5-9-12-8-4-7-11(2)14(12)15/h4,7-8H,3,5-6,9-10H2,1-2H3
InChIKeyVKTHJENLVKIUMH-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.07
Rot. Bonds2

About 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (PubChem CID 60704653) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
PubChem CID60704653
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCCc2cccc(C)c21
InChIInChI=1S/C14H19NO/c1-3-6-13(16)15-10-5-9-12-8-4-7-11(2)14(12)15/h4,7-8H,3,5-6,9-10H2,1-2H3
InChIKeyVKTHJENLVKIUMH-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 51289186
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione
CID 55480720
1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one
CID 55480391
2-[(4,5-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24900710
(4-amino-1-ethylpyrrol-2-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61113186
2-[(3-hydroxy-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143644946
6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 24900640
2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143644944
2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 81088199
2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103977977

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The IUPAC name of 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (CID 60704653) is 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.
What is the SMILES notation for 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The canonical SMILES for 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is CCCC(=O)N1CCCc2cccc(C)c21.
What is the InChIKey of 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The InChIKey is VKTHJENLVKIUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-6-13(16)15-10-5-9-12-8-4-7-11(2)14(12)15/h4,7-8H,3,5-6,9-10H2,1-2H3.
What are the key properties of 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one has a molecular weight of 217.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is sourced from PubChem (CID 60704653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).