6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one

C23H27NO3 — CID 140877895

IUPAC6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
SMILESCCCCc1cc2c(=O)c(CC)c[nH]c2cc1OCCOc1ccccc1
InChIInChI=1S/C23H27NO3/c1-3-5-9-18-14-20-21(24-16-17(4-2)23(20)25)15-22(18)27-13-12-26-19-10-7-6-8-11-19/h6-8,10-11,14-16H,3-5,9,12-13H2,1-2H3,(H,24,25)
InChIKeyUMBJXYQMJMZPSI-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.89
Rot. Bonds9

About 6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one

6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one (PubChem CID 140877895) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
PubChem CID140877895
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
SMILESCCCCc1cc2c(=O)c(CC)c[nH]c2cc1OCCOc1ccccc1
InChIInChI=1S/C23H27NO3/c1-3-5-9-18-14-20-21(24-16-17(4-2)23(20)25)15-22(18)27-13-12-26-19-10-7-6-8-11-19/h6-8,10-11,14-16H,3-5,9,12-13H2,1-2H3,(H,24,25)
InChIKeyUMBJXYQMJMZPSI-UHFFFAOYSA-N
XLogP4.89
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one?
The IUPAC name of 6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one (CID 140877895) is 6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one.
What is the SMILES notation for 6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one?
The canonical SMILES for 6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one is CCCCc1cc2c(=O)c(CC)c[nH]c2cc1OCCOc1ccccc1.
What is the InChIKey of 6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one?
The InChIKey is UMBJXYQMJMZPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-3-5-9-18-14-20-21(24-16-17(4-2)23(20)25)15-22(18)27-13-12-26-19-10-7-6-8-11-19/h6-8,10-11,14-16H,3-5,9,12-13H2,1-2H3,(H,24,25).
What are the key properties of 6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one?
6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one has a molecular weight of 365.47 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one is sourced from PubChem (CID 140877895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).