3,4,6-trimethyl-N-(8-propoxyquinolin-5-yl)-1-benzofuran-2-carboxamide

C24H24N2O3 — CID 39867526

IUPAC3,4,6-trimethyl-N-(8-propoxyquinolin-5-yl)-1-benzofuran-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2oc3cc(C)cc(C)c3c2C)c2cccnc12
InChIInChI=1S/C24H24N2O3/c1-5-11-28-19-9-8-18(17-7-6-10-25-22(17)19)26-24(27)23-16(4)21-15(3)12-14(2)13-20(21)29-23/h6-10,12-13H,5,11H2,1-4H3,(H,26,27)
InChIKeyODGZPJCEQOQWRN-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.95
Rot. Bonds5

About 3,4,6-trimethyl-N-(8-propoxyquinolin-5-yl)-1-benzofuran-2-carboxamide

3,4,6-trimethyl-N-(8-propoxyquinolin-5-yl)-1-benzofuran-2-carboxamide (PubChem CID 39867526) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3,4,6-trimethyl-N-(8-propoxyquinolin-5-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,4,6-trimethyl-N-(8-propoxyquinolin-5-yl)-1-benzofuran-2-carboxamide
PubChem CID39867526
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name3,4,6-trimethyl-N-(8-propoxyquinolin-5-yl)-1-benzofuran-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2oc3cc(C)cc(C)c3c2C)c2cccnc12
InChIInChI=1S/C24H24N2O3/c1-5-11-28-19-9-8-18(17-7-6-10-25-22(17)19)26-24(27)23-16(4)21-15(3)12-14(2)13-20(21)29-23/h6-10,12-13H,5,11H2,1-4H3,(H,26,27)
InChIKeyODGZPJCEQOQWRN-UHFFFAOYSA-N
XLogP5.95
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4,6-trimethyl-N-(8-propoxyquinolin-5-yl)-1-benzofuran-2-carboxamide 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 3,4,6-trimethyl-N-(8-propoxyquinolin-5-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3,4,6-trimethyl-N-(8-propoxyquinolin-5-yl)-1-benzofuran-2-carboxamide (CID 39867526) is 3,4,6-trimethyl-N-(8-propoxyquinolin-5-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,4,6-trimethyl-N-(8-propoxyquinolin-5-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,4,6-trimethyl-N-(8-propoxyquinolin-5-yl)-1-benzofuran-2-carboxamide is CCCOc1ccc(NC(=O)c2oc3cc(C)cc(C)c3c2C)c2cccnc12.
What is the InChIKey of 3,4,6-trimethyl-N-(8-propoxyquinolin-5-yl)-1-benzofuran-2-carboxamide?
The InChIKey is ODGZPJCEQOQWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-5-11-28-19-9-8-18(17-7-6-10-25-22(17)19)26-24(27)23-16(4)21-15(3)12-14(2)13-20(21)29-23/h6-10,12-13H,5,11H2,1-4H3,(H,26,27).
What are the key properties of 3,4,6-trimethyl-N-(8-propoxyquinolin-5-yl)-1-benzofuran-2-carboxamide?
3,4,6-trimethyl-N-(8-propoxyquinolin-5-yl)-1-benzofuran-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-N-(8-propoxyquinolin-5-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 39867526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).