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

C23H20N6O — CID 153370112

IUPACN-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)-6-phenylquinolin-4-amine
SMILESc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1
InChIInChI=1S/C23H20N6O/c1-2-5-17(6-3-1)18-7-8-21-19(13-18)22(20(14-26-21)23-28-27-16-30-23)25-9-4-11-29-12-10-24-15-29/h1-3,5-8,10,12-16H,4,9,11H2,(H,25,26)
InChIKeyAGTHZBSCWLGYCE-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.65
Rot. Bonds7

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

N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)-6-phenylquinolin-4-amine (PubChem CID 153370112) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)-6-phenylquinolin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)-6-phenylquinolin-4-amine
PubChem CID153370112
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)-6-phenylquinolin-4-amine
SMILESc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1
InChIInChI=1S/C23H20N6O/c1-2-5-17(6-3-1)18-7-8-21-19(13-18)22(20(14-26-21)23-28-27-16-30-23)25-9-4-11-29-12-10-24-15-29/h1-3,5-8,10,12-16H,4,9,11H2,(H,25,26)
InChIKeyAGTHZBSCWLGYCE-UHFFFAOYSA-N
XLogP4.65
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)-6-phenylquinolin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)-6-phenylquinolin-4-amine (CID 153370112) is N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)-6-phenylquinolin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)-6-phenylquinolin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)-6-phenylquinolin-4-amine is c1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)-6-phenylquinolin-4-amine?
The InChIKey is AGTHZBSCWLGYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-2-5-17(6-3-1)18-7-8-21-19(13-18)22(20(14-26-21)23-28-27-16-30-23)25-9-4-11-29-12-10-24-15-29/h1-3,5-8,10,12-16H,4,9,11H2,(H,25,26).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)-6-phenylquinolin-4-amine?
N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)-6-phenylquinolin-4-amine has a molecular weight of 396.45 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)-6-phenylquinolin-4-amine is sourced from PubChem (CID 153370112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).