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

C24H29NO3 — CID 56925542

IUPAC6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
SMILESCCCCc1cc2c(=O)c(CC)c(C)[nH]c2cc1OCCOc1ccccc1
InChIInChI=1S/C24H29NO3/c1-4-6-10-18-15-21-22(25-17(3)20(5-2)24(21)26)16-23(18)28-14-13-27-19-11-8-7-9-12-19/h7-9,11-12,15-16H,4-6,10,13-14H2,1-3H3,(H,25,26)
InChIKeyOCYXHJOFVXEKSQ-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.20
Rot. Bonds9

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

6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one (PubChem CID 56925542) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
PubChem CID56925542
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
SMILESCCCCc1cc2c(=O)c(CC)c(C)[nH]c2cc1OCCOc1ccccc1
InChIInChI=1S/C24H29NO3/c1-4-6-10-18-15-21-22(25-17(3)20(5-2)24(21)26)16-23(18)28-14-13-27-19-11-8-7-9-12-19/h7-9,11-12,15-16H,4-6,10,13-14H2,1-3H3,(H,25,26)
InChIKeyOCYXHJOFVXEKSQ-UHFFFAOYSA-N
XLogP5.20
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one?
The IUPAC name of 6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one (CID 56925542) is 6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one.
What is the SMILES notation for 6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one?
The canonical SMILES for 6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one is CCCCc1cc2c(=O)c(CC)c(C)[nH]c2cc1OCCOc1ccccc1.
What is the InChIKey of 6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one?
The InChIKey is OCYXHJOFVXEKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-4-6-10-18-15-21-22(25-17(3)20(5-2)24(21)26)16-23(18)28-14-13-27-19-11-8-7-9-12-19/h7-9,11-12,15-16H,4-6,10,13-14H2,1-3H3,(H,25,26).
What are the key properties of 6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one?
6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one has a molecular weight of 379.50 g/mol, XLogP of 5.20, 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-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one is sourced from PubChem (CID 56925542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).