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

C25H24N6O3 — CID 155515657

IUPAC6-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1OC
InChIInChI=1S/C25H24N6O3/c1-32-22-7-5-18(13-23(22)33-2)17-4-6-21-19(12-17)24(20(14-28-21)25-30-29-16-34-25)27-8-3-10-31-11-9-26-15-31/h4-7,9,11-16H,3,8,10H2,1-2H3,(H,27,28)
InChIKeySZVNLODEUNSKQI-UHFFFAOYSA-N
MW456.51 g/mol
LogP4.67
Rot. Bonds9

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

6-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine (PubChem CID 155515657) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
PubChem CID155515657
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name6-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1OC
InChIInChI=1S/C25H24N6O3/c1-32-22-7-5-18(13-23(22)33-2)17-4-6-21-19(12-17)24(20(14-28-21)25-30-29-16-34-25)27-8-3-10-31-11-9-26-15-31/h4-7,9,11-16H,3,8,10H2,1-2H3,(H,27,28)
InChIKeySZVNLODEUNSKQI-UHFFFAOYSA-N
XLogP4.67
TPSA100.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 6-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine (CID 155515657) is 6-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine is COc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The InChIKey is SZVNLODEUNSKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-32-22-7-5-18(13-23(22)33-2)17-4-6-21-19(12-17)24(20(14-28-21)25-30-29-16-34-25)27-8-3-10-31-11-9-26-15-31/h4-7,9,11-16H,3,8,10H2,1-2H3,(H,27,28).
What are the key properties of 6-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
6-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine has a molecular weight of 456.51 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine is sourced from PubChem (CID 155515657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).