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

C24H22N6O2 — CID 151546137

IUPACN-(3-imidazol-1-ylpropyl)-6-(2-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESCOc1ccccc1-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1
InChIInChI=1S/C24H22N6O2/c1-31-22-6-3-2-5-18(22)17-7-8-21-19(13-17)23(20(14-27-21)24-29-28-16-32-24)26-9-4-11-30-12-10-25-15-30/h2-3,5-8,10,12-16H,4,9,11H2,1H3,(H,26,27)
InChIKeyPZMRDXXERDRTRT-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.66
Rot. Bonds8

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

N-(3-imidazol-1-ylpropyl)-6-(2-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine (PubChem CID 151546137) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6-(2-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6-(2-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
PubChem CID151546137
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC NameN-(3-imidazol-1-ylpropyl)-6-(2-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESCOc1ccccc1-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1
InChIInChI=1S/C24H22N6O2/c1-31-22-6-3-2-5-18(22)17-7-8-21-19(13-17)23(20(14-27-21)24-29-28-16-32-24)26-9-4-11-30-12-10-25-15-30/h2-3,5-8,10,12-16H,4,9,11H2,1H3,(H,26,27)
InChIKeyPZMRDXXERDRTRT-UHFFFAOYSA-N
XLogP4.66
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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)-6-(2-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6-(2-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine (CID 151546137) is N-(3-imidazol-1-ylpropyl)-6-(2-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6-(2-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6-(2-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine is COc1ccccc1-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6-(2-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The InChIKey is PZMRDXXERDRTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-31-22-6-3-2-5-18(22)17-7-8-21-19(13-17)23(20(14-27-21)24-29-28-16-32-24)26-9-4-11-30-12-10-25-15-30/h2-3,5-8,10,12-16H,4,9,11H2,1H3,(H,26,27).
What are the key properties of N-(3-imidazol-1-ylpropyl)-6-(2-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
N-(3-imidazol-1-ylpropyl)-6-(2-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine has a molecular weight of 426.48 g/mol, XLogP of 4.66, 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-(2-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine is sourced from PubChem (CID 151546137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).