2-quinolin-8-yloxypentan-3-one

C14H15NO2 — CID 64868229

IUPAC2-quinolin-8-yloxypentan-3-one
SMILESCCC(=O)C(C)Oc1cccc2cccnc12
InChIInChI=1S/C14H15NO2/c1-3-12(16)10(2)17-13-8-4-6-11-7-5-9-15-14(11)13/h4-10H,3H2,1-2H3
InChIKeySPGUEITUAKREEF-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.98
Rot. Bonds4

About 2-quinolin-8-yloxypentan-3-one

2-quinolin-8-yloxypentan-3-one (PubChem CID 64868229) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-quinolin-8-yloxypentan-3-one.

Molecular Properties

Compound Name2-quinolin-8-yloxypentan-3-one
PubChem CID64868229
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-quinolin-8-yloxypentan-3-one
SMILESCCC(=O)C(C)Oc1cccc2cccnc12
InChIInChI=1S/C14H15NO2/c1-3-12(16)10(2)17-13-8-4-6-11-7-5-9-15-14(11)13/h4-10H,3H2,1-2H3
InChIKeySPGUEITUAKREEF-UHFFFAOYSA-N
XLogP2.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584
2-quinolin-8-yloxybutanamide
CID 62901439
2-quinolin-8-yloxybutanehydrazide
CID 63575214
N-(furan-2-ylmethyl)-2-quinolin-8-yloxypropanamide
CID 4781245
8-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434542
2-ethoxy-1-quinolin-8-ylpropan-1-one
CID 81220113
2-amino-2-methyl-4-quinolin-8-yloxypentanamide
CID 64706156
(2S)-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
CID 139437784
2-(2-chlorophenoxy)pentan-3-one
CID 64866523
(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 135726830
8-(4-methylpent-1-yn-3-yloxy)quinoline
CID 87958681
4,4,4-trifluoro-3-quinolin-8-yloxybutanoic acid
CID 63073292

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-8-yloxypentan-3-one?
The IUPAC name of 2-quinolin-8-yloxypentan-3-one (CID 64868229) is 2-quinolin-8-yloxypentan-3-one.
What is the SMILES notation for 2-quinolin-8-yloxypentan-3-one?
The canonical SMILES for 2-quinolin-8-yloxypentan-3-one is CCC(=O)C(C)Oc1cccc2cccnc12.
What is the InChIKey of 2-quinolin-8-yloxypentan-3-one?
The InChIKey is SPGUEITUAKREEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-12(16)10(2)17-13-8-4-6-11-7-5-9-15-14(11)13/h4-10H,3H2,1-2H3.
What are the key properties of 2-quinolin-8-yloxypentan-3-one?
2-quinolin-8-yloxypentan-3-one has a molecular weight of 229.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-8-yloxypentan-3-one is sourced from PubChem (CID 64868229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).