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

C23H21N7O — CID 153370123

IUPAC6-(4-aminophenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESNc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1
InChIInChI=1S/C23H21N7O/c24-18-5-2-16(3-6-18)17-4-7-21-19(12-17)22(20(13-27-21)23-29-28-15-31-23)26-8-1-10-30-11-9-25-14-30/h2-7,9,11-15H,1,8,10,24H2,(H,26,27)
InChIKeyZKIKODBQYDIGIR-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.23
Rot. Bonds7

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

6-(4-aminophenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine (PubChem CID 153370123) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-(4-aminophenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine.

Molecular Properties

Compound Name6-(4-aminophenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
PubChem CID153370123
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name6-(4-aminophenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESNc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1
InChIInChI=1S/C23H21N7O/c24-18-5-2-16(3-6-18)17-4-7-21-19(12-17)22(20(13-27-21)23-29-28-15-31-23)26-8-1-10-30-11-9-25-14-30/h2-7,9,11-15H,1,8,10,24H2,(H,26,27)
InChIKeyZKIKODBQYDIGIR-UHFFFAOYSA-N
XLogP4.23
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-(4-aminophenyl)-N-(3-imidazol-1-ylpropyl)-3-(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 6-(4-aminophenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The IUPAC name of 6-(4-aminophenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine (CID 153370123) is 6-(4-aminophenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine.
What is the SMILES notation for 6-(4-aminophenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The canonical SMILES for 6-(4-aminophenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine is Nc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1.
What is the InChIKey of 6-(4-aminophenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The InChIKey is ZKIKODBQYDIGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c24-18-5-2-16(3-6-18)17-4-7-21-19(12-17)22(20(13-27-21)23-29-28-15-31-23)26-8-1-10-30-11-9-25-14-30/h2-7,9,11-15H,1,8,10,24H2,(H,26,27).
What are the key properties of 6-(4-aminophenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
6-(4-aminophenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine has a molecular weight of 411.47 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine is sourced from PubChem (CID 153370123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).