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

C25H23N5O2 — CID 151150040

IUPAC6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylpropyl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4cccc4)c3c2)cc1
InChIInChI=1S/C25H23N5O2/c1-31-20-8-5-18(6-9-20)19-7-10-23-21(15-19)24(22(16-27-23)25-29-28-17-32-25)26-11-4-14-30-12-2-3-13-30/h2-3,5-10,12-13,15-17H,4,11,14H2,1H3,(H,26,27)
InChIKeyMYANQKPFWWQTRW-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.26
Rot. Bonds8

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

6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylpropyl)quinolin-4-amine (PubChem CID 151150040) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylpropyl)quinolin-4-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylpropyl)quinolin-4-amine
PubChem CID151150040
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylpropyl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4cccc4)c3c2)cc1
InChIInChI=1S/C25H23N5O2/c1-31-20-8-5-18(6-9-20)19-7-10-23-21(15-19)24(22(16-27-23)25-29-28-17-32-25)26-11-4-14-30-12-2-3-13-30/h2-3,5-10,12-13,15-17H,4,11,14H2,1H3,(H,26,27)
InChIKeyMYANQKPFWWQTRW-UHFFFAOYSA-N
XLogP5.26
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.26
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 6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylpropyl)quinolin-4-amine?
The IUPAC name of 6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylpropyl)quinolin-4-amine (CID 151150040) is 6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylpropyl)quinolin-4-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylpropyl)quinolin-4-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylpropyl)quinolin-4-amine is COc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4cccc4)c3c2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylpropyl)quinolin-4-amine?
The InChIKey is MYANQKPFWWQTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-31-20-8-5-18(6-9-20)19-7-10-23-21(15-19)24(22(16-27-23)25-29-28-17-32-25)26-11-4-14-30-12-2-3-13-30/h2-3,5-10,12-13,15-17H,4,11,14H2,1H3,(H,26,27).
What are the key properties of 6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylpropyl)quinolin-4-amine?
6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylpropyl)quinolin-4-amine has a molecular weight of 425.49 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylpropyl)quinolin-4-amine is sourced from PubChem (CID 151150040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).