1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one

C15H21NO — CID 116610457

IUPAC1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one
SMILESCCCCCC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C15H21NO/c1-2-3-4-10-15(17)13-7-5-9-14-12(13)8-6-11-16-14/h5,7,9,16H,2-4,6,8,10-11H2,1H3
InChIKeyGFGYEAAJFKVDJI-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.81
Rot. Bonds5

About 1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one

1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one (PubChem CID 116610457) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one
PubChem CID116610457
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one
SMILESCCCCCC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C15H21NO/c1-2-3-4-10-15(17)13-7-5-9-14-12(13)8-6-11-16-14/h5,7,9,16H,2-4,6,8,10-11H2,1H3
InChIKeyGFGYEAAJFKVDJI-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
N-butyl-N-ethyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55126978
N-(1,2,3,4-tetrahydroquinolin-5-yl)nonanamide
CID 65447430
propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 60834864
N-methyl-N-propyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62848998
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610346
(4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849515
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610444
1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one
CID 116554411
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
1-(2-hydroxy-3-octanoylphenyl)octan-1-one
CID 23530125
(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849338

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one?
The IUPAC name of 1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one (CID 116610457) is 1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one.
What is the SMILES notation for 1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one?
The canonical SMILES for 1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one is CCCCCC(=O)c1cccc2c1CCCN2.
What is the InChIKey of 1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one?
The InChIKey is GFGYEAAJFKVDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-3-4-10-15(17)13-7-5-9-14-12(13)8-6-11-16-14/h5,7,9,16H,2-4,6,8,10-11H2,1H3.
What are the key properties of 1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one?
1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one is sourced from PubChem (CID 116610457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).