6-ethyl-3-heptanoyl-1H-quinolin-4-one

C18H23NO2 — CID 44561074

IUPAC6-ethyl-3-heptanoyl-1H-quinolin-4-one
SMILESCCCCCCC(=O)c1c[nH]c2ccc(CC)cc2c1=O
InChIInChI=1S/C18H23NO2/c1-3-5-6-7-8-17(20)15-12-19-16-10-9-13(4-2)11-14(16)18(15)21/h9-12H,3-8H2,1-2H3,(H,19,21)
InChIKeyKLIFIIDDQRHPBY-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.24
Rot. Bonds7

About 6-ethyl-3-heptanoyl-1H-quinolin-4-one

6-ethyl-3-heptanoyl-1H-quinolin-4-one (PubChem CID 44561074) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-ethyl-3-heptanoyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-ethyl-3-heptanoyl-1H-quinolin-4-one
PubChem CID44561074
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name6-ethyl-3-heptanoyl-1H-quinolin-4-one
SMILESCCCCCCC(=O)c1c[nH]c2ccc(CC)cc2c1=O
InChIInChI=1S/C18H23NO2/c1-3-5-6-7-8-17(20)15-12-19-16-10-9-13(4-2)11-14(16)18(15)21/h9-12H,3-8H2,1-2H3,(H,19,21)
InChIKeyKLIFIIDDQRHPBY-UHFFFAOYSA-N
XLogP4.24
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 118577946
6-nitro-3-pentanoyl-1H-quinolin-4-one
CID 44560519
1-(5-chloro-1H-indol-3-yl)octan-1-one
CID 63878518
pentan-3-yl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 11716193
3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 25235216
1-(2,5-diethylphenyl)decan-1-one
CID 65448938
1-(5-methoxy-1H-indol-3-yl)nonan-1-one
CID 65448551
1-(5-ethoxy-1H-indol-3-yl)heptan-1-one
CID 114752203
1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone
CID 82493050
5-hexanoyl-2,3-dimethyl-1H-pyridin-4-one
CID 159429239
N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane
CID 143617094
3-bromo-6-butyl-1H-quinolin-4-one
CID 114759349

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-heptanoyl-1H-quinolin-4-one?
The IUPAC name of 6-ethyl-3-heptanoyl-1H-quinolin-4-one (CID 44561074) is 6-ethyl-3-heptanoyl-1H-quinolin-4-one.
What is the SMILES notation for 6-ethyl-3-heptanoyl-1H-quinolin-4-one?
The canonical SMILES for 6-ethyl-3-heptanoyl-1H-quinolin-4-one is CCCCCCC(=O)c1c[nH]c2ccc(CC)cc2c1=O.
What is the InChIKey of 6-ethyl-3-heptanoyl-1H-quinolin-4-one?
The InChIKey is KLIFIIDDQRHPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-5-6-7-8-17(20)15-12-19-16-10-9-13(4-2)11-14(16)18(15)21/h9-12H,3-8H2,1-2H3,(H,19,21).
What are the key properties of 6-ethyl-3-heptanoyl-1H-quinolin-4-one?
6-ethyl-3-heptanoyl-1H-quinolin-4-one has a molecular weight of 285.39 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-heptanoyl-1H-quinolin-4-one is sourced from PubChem (CID 44561074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).