3-(quinoline-8-carbonyl)cyclopentan-1-one

C15H13NO2 — CID 79638933

IUPAC3-(quinoline-8-carbonyl)cyclopentan-1-one
SMILESO=C1CCC(C(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C15H13NO2/c17-12-7-6-11(9-12)15(18)13-5-1-3-10-4-2-8-16-14(10)13/h1-5,8,11H,6-7,9H2
InChIKeyZXJATHCFNKMAFE-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.79
Rot. Bonds2

About 3-(quinoline-8-carbonyl)cyclopentan-1-one

3-(quinoline-8-carbonyl)cyclopentan-1-one (PubChem CID 79638933) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(quinoline-8-carbonyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(quinoline-8-carbonyl)cyclopentan-1-one
PubChem CID79638933
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-(quinoline-8-carbonyl)cyclopentan-1-one
SMILESO=C1CCC(C(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C15H13NO2/c17-12-7-6-11(9-12)15(18)13-5-1-3-10-4-2-8-16-14(10)13/h1-5,8,11H,6-7,9H2
InChIKeyZXJATHCFNKMAFE-UHFFFAOYSA-N
XLogP2.79
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl(quinolin-8-yl)methanone
CID 81220027
(4-ethylcyclohexyl)-quinolin-8-ylmethanone
CID 81221024
(5,6-dimethyl-1,4-dithian-2-yl)-quinolin-8-ylmethanone
CID 103344942
1-quinolin-8-ylprop-2-yn-1-one
CID 105108252
palladium;quinoline-8-carboxylic acid
CID 174945118
(2-phenylcyclopropyl)-quinolin-8-ylmethanone
CID 115790655
[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-quinolin-8-ylmethanone
CID 132534099
pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703
3-(1-methylindole-2-carbonyl)cyclopentan-1-one
CID 11447847
(4-aminopiperidin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119375001
4-[hydroxy-(quinolin-8-ylamino)methyl]cyclohexan-1-one
CID 123554296
(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
CID 62917957

Frequently Asked Questions

What is the IUPAC name of 3-(quinoline-8-carbonyl)cyclopentan-1-one?
The IUPAC name of 3-(quinoline-8-carbonyl)cyclopentan-1-one (CID 79638933) is 3-(quinoline-8-carbonyl)cyclopentan-1-one.
What is the SMILES notation for 3-(quinoline-8-carbonyl)cyclopentan-1-one?
The canonical SMILES for 3-(quinoline-8-carbonyl)cyclopentan-1-one is O=C1CCC(C(=O)c2cccc3cccnc23)C1.
What is the InChIKey of 3-(quinoline-8-carbonyl)cyclopentan-1-one?
The InChIKey is ZXJATHCFNKMAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-12-7-6-11(9-12)15(18)13-5-1-3-10-4-2-8-16-14(10)13/h1-5,8,11H,6-7,9H2.
What are the key properties of 3-(quinoline-8-carbonyl)cyclopentan-1-one?
3-(quinoline-8-carbonyl)cyclopentan-1-one has a molecular weight of 239.27 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinoline-8-carbonyl)cyclopentan-1-one is sourced from PubChem (CID 79638933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).