2-ethoxy-1-quinolin-8-ylpropan-1-one

C14H15NO2 — CID 81220113

IUPAC2-ethoxy-1-quinolin-8-ylpropan-1-one
SMILESCCOC(C)C(=O)c1cccc2cccnc12
InChIInChI=1S/C14H15NO2/c1-3-17-10(2)14(16)12-8-4-6-11-7-5-9-15-13(11)12/h4-10H,3H2,1-2H3
InChIKeyLVVZVYBZCHSHNB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.84
Rot. Bonds4

About 2-ethoxy-1-quinolin-8-ylpropan-1-one

2-ethoxy-1-quinolin-8-ylpropan-1-one (PubChem CID 81220113) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-ethoxy-1-quinolin-8-ylpropan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-quinolin-8-ylpropan-1-one
PubChem CID81220113
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-ethoxy-1-quinolin-8-ylpropan-1-one
SMILESCCOC(C)C(=O)c1cccc2cccnc12
InChIInChI=1S/C14H15NO2/c1-3-17-10(2)14(16)12-8-4-6-11-7-5-9-15-13(11)12/h4-10H,3H2,1-2H3
InChIKeyLVVZVYBZCHSHNB-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-quinolin-8-yloxypentan-3-one
CID 64868229
3-(quinoline-8-carbonyl)pentanenitrile
CID 63970339
(2-ethoxy-2-oxoethyl) quinoline-8-carboxylate
CID 156784180
(2-ethylphenyl)-quinolin-8-ylmethanone
CID 115790630
3,5-dimethyl-1-quinolin-8-ylhexan-1-one
CID 114201644
ethyl 2-fluoro-2-quinolin-8-ylacetate
CID 81224221
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide
CID 96567455
palladium;quinoline-8-carboxylic acid
CID 174945118
2-ethylsulfanyl-1-quinolin-8-ylethanone
CID 81220485
(2-methoxyphenyl)-quinolin-8-ylmethanone
CID 81215631
2,2-diethoxy-1-quinolin-8-ylethanol
CID 81220226
N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide
CID 80662580

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-quinolin-8-ylpropan-1-one?
The IUPAC name of 2-ethoxy-1-quinolin-8-ylpropan-1-one (CID 81220113) is 2-ethoxy-1-quinolin-8-ylpropan-1-one.
What is the SMILES notation for 2-ethoxy-1-quinolin-8-ylpropan-1-one?
The canonical SMILES for 2-ethoxy-1-quinolin-8-ylpropan-1-one is CCOC(C)C(=O)c1cccc2cccnc12.
What is the InChIKey of 2-ethoxy-1-quinolin-8-ylpropan-1-one?
The InChIKey is LVVZVYBZCHSHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-17-10(2)14(16)12-8-4-6-11-7-5-9-15-13(11)12/h4-10H,3H2,1-2H3.
What are the key properties of 2-ethoxy-1-quinolin-8-ylpropan-1-one?
2-ethoxy-1-quinolin-8-ylpropan-1-one has a molecular weight of 229.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-quinolin-8-ylpropan-1-one is sourced from PubChem (CID 81220113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).