3-ethoxy-3-ethyl-1-quinolin-4-ylpentan-2-one

C18H23NO2 — CID 116747331

IUPAC3-ethoxy-3-ethyl-1-quinolin-4-ylpentan-2-one
SMILESCCOC(CC)(CC)C(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C18H23NO2/c1-4-18(5-2,21-6-3)17(20)13-14-11-12-19-16-10-8-7-9-15(14)16/h7-12H,4-6,13H2,1-3H3
InChIKeyIJKFSEMQIGRJJF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.94
Rot. Bonds7

About 3-ethoxy-3-ethyl-1-quinolin-4-ylpentan-2-one

3-ethoxy-3-ethyl-1-quinolin-4-ylpentan-2-one (PubChem CID 116747331) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-1-quinolin-4-ylpentan-2-one.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-1-quinolin-4-ylpentan-2-one
PubChem CID116747331
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-ethoxy-3-ethyl-1-quinolin-4-ylpentan-2-one
SMILESCCOC(CC)(CC)C(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C18H23NO2/c1-4-18(5-2,21-6-3)17(20)13-14-11-12-19-16-10-8-7-9-15(14)16/h7-12H,4-6,13H2,1-3H3
InChIKeyIJKFSEMQIGRJJF-UHFFFAOYSA-N
XLogP3.94
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-quinolin-4-ylbutan-2-one
CID 15695851
3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one
CID 103456262
2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid
CID 79791371
ethyl 2-(quinolin-4-ylmethylamino)acetate
CID 55251513
quinolin-4-ylmethyl hydrogen carbonate
CID 154246402
ethyl 2-methyl-2-(quinolin-4-ylmethyl)but-3-enoate
CID 102639163
3-(quinolin-4-ylmethyl)hexan-3-ol
CID 114079980
1-(2-methoxyphenyl)-2-quinolin-4-ylethanone
CID 11380387
1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone
CID 105109033
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
quinolin-4-yl propanoate
CID 174834385
1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one
CID 103543731

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-1-quinolin-4-ylpentan-2-one?
The IUPAC name of 3-ethoxy-3-ethyl-1-quinolin-4-ylpentan-2-one (CID 116747331) is 3-ethoxy-3-ethyl-1-quinolin-4-ylpentan-2-one.
What is the SMILES notation for 3-ethoxy-3-ethyl-1-quinolin-4-ylpentan-2-one?
The canonical SMILES for 3-ethoxy-3-ethyl-1-quinolin-4-ylpentan-2-one is CCOC(CC)(CC)C(=O)Cc1ccnc2ccccc12.
What is the InChIKey of 3-ethoxy-3-ethyl-1-quinolin-4-ylpentan-2-one?
The InChIKey is IJKFSEMQIGRJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-18(5-2,21-6-3)17(20)13-14-11-12-19-16-10-8-7-9-15(14)16/h7-12H,4-6,13H2,1-3H3.
What are the key properties of 3-ethoxy-3-ethyl-1-quinolin-4-ylpentan-2-one?
3-ethoxy-3-ethyl-1-quinolin-4-ylpentan-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-ethyl-1-quinolin-4-ylpentan-2-one is sourced from PubChem (CID 116747331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).