1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine

C23H24N4O2 — CID 25297441

IUPAC1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCOc1ccc(CN(C)Cc2nc(CCc3ccccc3)no2)c2cccnc12
InChIInChI=1S/C23H24N4O2/c1-27(15-18-11-12-20(28-2)23-19(18)9-6-14-24-23)16-22-25-21(26-29-22)13-10-17-7-4-3-5-8-17/h3-9,11-12,14H,10,13,15-16H2,1-2H3
InChIKeyLGBWLKDVCGEIPH-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.04
Rot. Bonds8

About 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine

1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 25297441) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID25297441
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCOc1ccc(CN(C)Cc2nc(CCc3ccccc3)no2)c2cccnc12
InChIInChI=1S/C23H24N4O2/c1-27(15-18-11-12-20(28-2)23-19(18)9-6-14-24-23)16-22-25-21(26-29-22)13-10-17-7-4-3-5-8-17/h3-9,11-12,14H,10,13,15-16H2,1-2H3
InChIKeyLGBWLKDVCGEIPH-UHFFFAOYSA-N
XLogP4.04
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine 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 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 25297441) is 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is COc1ccc(CN(C)Cc2nc(CCc3ccccc3)no2)c2cccnc12.
What is the InChIKey of 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is LGBWLKDVCGEIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-27(15-18-11-12-20(28-2)23-19(18)9-6-14-24-23)16-22-25-21(26-29-22)13-10-17-7-4-3-5-8-17/h3-9,11-12,14H,10,13,15-16H2,1-2H3.
What are the key properties of 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 388.47 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 25297441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).