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

C25H27N5O3 — CID 155529673

IUPAC6-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCN4CCOCC4)c3c2)cc1
InChIInChI=1S/C25H27N5O3/c1-31-20-6-3-18(4-7-20)19-5-8-23-21(15-19)24(22(16-27-23)25-29-28-17-33-25)26-9-2-10-30-11-13-32-14-12-30/h3-8,15-17H,2,9-14H2,1H3,(H,26,27)
InChIKeyHOHLTWPTYNTYRD-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.09
Rot. Bonds8

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

6-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine (PubChem CID 155529673) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
PubChem CID155529673
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name6-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCN4CCOCC4)c3c2)cc1
InChIInChI=1S/C25H27N5O3/c1-31-20-6-3-18(4-7-20)19-5-8-23-21(15-19)24(22(16-27-23)25-29-28-17-33-25)26-9-2-10-30-11-13-32-14-12-30/h3-8,15-17H,2,9-14H2,1H3,(H,26,27)
InChIKeyHOHLTWPTYNTYRD-UHFFFAOYSA-N
XLogP4.09
TPSA85.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.09
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 6-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The IUPAC name of 6-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine (CID 155529673) is 6-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine is COc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCN4CCOCC4)c3c2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
The InChIKey is HOHLTWPTYNTYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-31-20-6-3-18(4-7-20)19-5-8-23-21(15-19)24(22(16-27-23)25-29-28-17-33-25)26-9-2-10-30-11-13-32-14-12-30/h3-8,15-17H,2,9-14H2,1H3,(H,26,27).
What are the key properties of 6-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine?
6-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine has a molecular weight of 445.52 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine is sourced from PubChem (CID 155529673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).