N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-amine

C25H24N6O2 — CID 153370145

IUPACN-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3ncc(-c4nnc(C)o4)c(NCCCn4ccnc4)c3c2)cc1
InChIInChI=1S/C25H24N6O2/c1-17-29-30-25(33-17)22-15-28-23-9-6-19(18-4-7-20(32-2)8-5-18)14-21(23)24(22)27-10-3-12-31-13-11-26-16-31/h4-9,11,13-16H,3,10,12H2,1-2H3,(H,27,28)
InChIKeyOJXMYDWMKQOWKW-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.97
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-amine

N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-amine (PubChem CID 153370145) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-amine
PubChem CID153370145
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3ncc(-c4nnc(C)o4)c(NCCCn4ccnc4)c3c2)cc1
InChIInChI=1S/C25H24N6O2/c1-17-29-30-25(33-17)22-15-28-23-9-6-19(18-4-7-20(32-2)8-5-18)14-21(23)24(22)27-10-3-12-31-13-11-26-16-31/h4-9,11,13-16H,3,10,12H2,1-2H3,(H,27,28)
InChIKeyOJXMYDWMKQOWKW-UHFFFAOYSA-N
XLogP4.97
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-amine 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 N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-amine (CID 153370145) is N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-amine is COc1ccc(-c2ccc3ncc(-c4nnc(C)o4)c(NCCCn4ccnc4)c3c2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The InChIKey is OJXMYDWMKQOWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-17-29-30-25(33-17)22-15-28-23-9-6-19(18-4-7-20(32-2)8-5-18)14-21(23)24(22)27-10-3-12-31-13-11-26-16-31/h4-9,11,13-16H,3,10,12H2,1-2H3,(H,27,28).
What are the key properties of N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-amine?
N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-amine has a molecular weight of 440.51 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-amine is sourced from PubChem (CID 153370145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).