6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one

C20H21NO4 — CID 110635212

IUPAC6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)C(=O)CCN2C(=O)CCCOc1ccccc1
InChIInChI=1S/C20H21NO4/c1-24-16-9-10-18-17(14-16)19(22)11-12-21(18)20(23)8-5-13-25-15-6-3-2-4-7-15/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3
InChIKeyTXBWQLGQMSFKKT-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.47
Rot. Bonds6

About 6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one

6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one (PubChem CID 110635212) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one
PubChem CID110635212
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)C(=O)CCN2C(=O)CCCOc1ccccc1
InChIInChI=1S/C20H21NO4/c1-24-16-9-10-18-17(14-16)19(22)11-12-21(18)20(23)8-5-13-25-15-6-3-2-4-7-15/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3
InChIKeyTXBWQLGQMSFKKT-UHFFFAOYSA-N
XLogP3.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one
CID 110636690
1-(cyclobutanecarbonyl)-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635249
1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one
CID 110424740
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate
CID 36502951
methyl 2-[(4-oxo-1-propanoyl-2,3-dihydroquinolin-6-yl)oxy]acetate
CID 21294790
2-[2-(7-methoxy-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110635632
6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
CID 110634848
1-tetradecanoyl-2,3-dihydroquinolin-4-one
CID 57163991
1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110749866
1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one
CID 110316103
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
ethyl 2-[4-(6-methoxy-2,3-dihydroindol-1-yl)-4-oxobutoxy]benzoate
CID 66678879

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one (CID 110635212) is 6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one is COc1ccc2c(c1)C(=O)CCN2C(=O)CCCOc1ccccc1.
What is the InChIKey of 6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one?
The InChIKey is TXBWQLGQMSFKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-24-16-9-10-18-17(14-16)19(22)11-12-21(18)20(23)8-5-13-25-15-6-3-2-4-7-15/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3.
What are the key properties of 6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one?
6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one has a molecular weight of 339.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110635212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).