1-quinolin-5-ylhexan-1-one

C15H17NO — CID 115789824

IUPAC1-quinolin-5-ylhexan-1-one
SMILESCCCCCC(=O)c1cccc2ncccc12
InChIInChI=1S/C15H17NO/c1-2-3-4-10-15(17)13-7-5-9-14-12(13)8-6-11-16-14/h5-9,11H,2-4,10H2,1H3
InChIKeyHJERKISTINQLDG-UHFFFAOYSA-N
MW227.31 g/mol
LogP4.00
Rot. Bonds5

About 1-quinolin-5-ylhexan-1-one

1-quinolin-5-ylhexan-1-one (PubChem CID 115789824) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-quinolin-5-ylhexan-1-one.

Molecular Properties

Compound Name1-quinolin-5-ylhexan-1-one
PubChem CID115789824
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-quinolin-5-ylhexan-1-one
SMILESCCCCCC(=O)c1cccc2ncccc12
InChIInChI=1S/C15H17NO/c1-2-3-4-10-15(17)13-7-5-9-14-12(13)8-6-11-16-14/h5-9,11H,2-4,10H2,1H3
InChIKeyHJERKISTINQLDG-UHFFFAOYSA-N
XLogP4.00
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-quinolin-4-yldecan-1-one
CID 105086389
1-(2-methyl-3-pyridinyl)hexan-1-one
CID 105087719
5-amino-1-quinolin-5-ylhexan-1-one
CID 116610193
3-ethyl-1-quinolin-5-ylheptan-1-one
CID 105082043
1-naphthalen-1-yldodecan-1-one
CID 3424169
3-methyl-1-quinolin-5-ylbut-3-en-1-one
CID 105112604
1-(2-ethoxy-3-pyridinyl)hexan-1-one
CID 86237866
1-quinolin-5-ylbut-3-yn-1-one
CID 105076404
1-(2-methoxy-3-pyridinyl)octan-1-one
CID 105086571
CID 20678160
CID 20678160
2-(1-ethylimidazol-2-yl)-1-quinolin-5-ylethanone
CID 105115236
3,3,3-trifluoro-1-quinolin-5-ylpropan-1-one
CID 81220780

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-5-ylhexan-1-one?
The IUPAC name of 1-quinolin-5-ylhexan-1-one (CID 115789824) is 1-quinolin-5-ylhexan-1-one.
What is the SMILES notation for 1-quinolin-5-ylhexan-1-one?
The canonical SMILES for 1-quinolin-5-ylhexan-1-one is CCCCCC(=O)c1cccc2ncccc12.
What is the InChIKey of 1-quinolin-5-ylhexan-1-one?
The InChIKey is HJERKISTINQLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-3-4-10-15(17)13-7-5-9-14-12(13)8-6-11-16-14/h5-9,11H,2-4,10H2,1H3.
What are the key properties of 1-quinolin-5-ylhexan-1-one?
1-quinolin-5-ylhexan-1-one has a molecular weight of 227.31 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-5-ylhexan-1-one is sourced from PubChem (CID 115789824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).