2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one

C15H21NO — CID 107890284

IUPAC2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one
SMILESCCCC(C)C(=O)C1CCNc2ccccc21
InChIInChI=1S/C15H21NO/c1-3-6-11(2)15(17)13-9-10-16-14-8-5-4-7-12(13)14/h4-5,7-8,11,13,16H,3,6,9-10H2,1-2H3
InChIKeyLBQIHWKOHWGUDX-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.59
Rot. Bonds4

About 2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one

2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one (PubChem CID 107890284) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one
PubChem CID107890284
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one
SMILESCCCC(C)C(=O)C1CCNc2ccccc21
InChIInChI=1S/C15H21NO/c1-3-6-11(2)15(17)13-9-10-16-14-8-5-4-7-12(13)14/h4-5,7-8,11,13,16H,3,6,9-10H2,1-2H3
InChIKeyLBQIHWKOHWGUDX-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106116712
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one
CID 55227243
(4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598109
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 102905910
tert-butyl (4S)-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 124603961
2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone
CID 116598165
N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106328633
(2R)-4-methylsulfanyl-2-(1,2,3,4-tetrahydroquinoline-4-carbonylamino)butanoic acid
CID 104909225
(4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598113
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
(4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598164
(3,4-dimethoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 103533053

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one?
The IUPAC name of 2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one (CID 107890284) is 2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one.
What is the SMILES notation for 2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one?
The canonical SMILES for 2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one is CCCC(C)C(=O)C1CCNc2ccccc21.
What is the InChIKey of 2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one?
The InChIKey is LBQIHWKOHWGUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-6-11(2)15(17)13-9-10-16-14-8-5-4-7-12(13)14/h4-5,7-8,11,13,16H,3,6,9-10H2,1-2H3.
What are the key properties of 2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one?
2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one is sourced from PubChem (CID 107890284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).