1-(2,4-diethyl-2H-quinolin-1-yl)ethanone

C15H19NO — CID 126493211

IUPAC1-(2,4-diethyl-2H-quinolin-1-yl)ethanone
SMILESCCC1=CC(CC)N(C(C)=O)c2ccccc21
InChIInChI=1S/C15H19NO/c1-4-12-10-13(5-2)16(11(3)17)15-9-7-6-8-14(12)15/h6-10,13H,4-5H2,1-3H3
InChIKeyRQPWSGRPGOYXHM-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.63
Rot. Bonds2

About 1-(2,4-diethyl-2H-quinolin-1-yl)ethanone

1-(2,4-diethyl-2H-quinolin-1-yl)ethanone (PubChem CID 126493211) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(2,4-diethyl-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-diethyl-2H-quinolin-1-yl)ethanone
PubChem CID126493211
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(2,4-diethyl-2H-quinolin-1-yl)ethanone
SMILESCCC1=CC(CC)N(C(C)=O)c2ccccc21
InChIInChI=1S/C15H19NO/c1-4-12-10-13(5-2)16(11(3)17)15-9-7-6-8-14(12)15/h6-10,13H,4-5H2,1-3H3
InChIKeyRQPWSGRPGOYXHM-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethyl-2H-quinolin-1-yl)ethanone
CID 126493212
1-(6-hydroxy-6H-phenanthridin-5-yl)ethanone
CID 14452374
1-[(6R)-6-ethyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
CID 7014185
1-acetyl-3,3-difluoro-2-hydroxy-2H-quinolin-4-one
CID 162400921
1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325722
7-acetyl-6-ethyl-3-ethylsulfanyl-2,6-dihydro-[1,2,4]triazino[1,6-c]quinazolin-5-ium-1-one
CID 136940749
(1Z)-1-(1-acetyl-2-prop-2-enyl-2H-indol-3-ylidene)propan-2-one
CID 10753509
1-[(6S)-6-(4-ethylphenyl)-3-ethylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
CID 92868539
ethyl 4-(1-acetyl-3-oxo-2H-indol-2-yl)piperazine-1-carboxylate
CID 46335603
1-[(3R,4R)-4-amino-2,3-diethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 149069943
(2-ethyl-3-methylidene-2H-indol-1-yl)-phenylmethanone
CID 11587010
1-[(6S)-3-ethylsulfanyl-6-methyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
CID 6401228

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethyl-2H-quinolin-1-yl)ethanone?
The IUPAC name of 1-(2,4-diethyl-2H-quinolin-1-yl)ethanone (CID 126493211) is 1-(2,4-diethyl-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 1-(2,4-diethyl-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 1-(2,4-diethyl-2H-quinolin-1-yl)ethanone is CCC1=CC(CC)N(C(C)=O)c2ccccc21.
What is the InChIKey of 1-(2,4-diethyl-2H-quinolin-1-yl)ethanone?
The InChIKey is RQPWSGRPGOYXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-12-10-13(5-2)16(11(3)17)15-9-7-6-8-14(12)15/h6-10,13H,4-5H2,1-3H3.
What are the key properties of 1-(2,4-diethyl-2H-quinolin-1-yl)ethanone?
1-(2,4-diethyl-2H-quinolin-1-yl)ethanone has a molecular weight of 229.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethyl-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 126493211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).