2-(2,5-dimethoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide

C25H30N4O4 — CID 3243515

IUPAC2-(2,5-dimethoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)c1
InChIInChI=1S/C25H30N4O4/c1-31-18-8-9-23(32-2)22(16-18)28-24-17-20(19-6-3-4-7-21(19)27-24)25(30)26-10-5-11-29-12-14-33-15-13-29/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyOZCDRGAPQAFKIS-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.45
Rot. Bonds9

About 2-(2,5-dimethoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide

2-(2,5-dimethoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (PubChem CID 3243515) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
PubChem CID3243515
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Name2-(2,5-dimethoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)c1
InChIInChI=1S/C25H30N4O4/c1-31-18-8-9-23(32-2)22(16-18)28-24-17-20(19-6-3-4-7-21(19)27-24)25(30)26-10-5-11-29-12-14-33-15-13-29/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyOZCDRGAPQAFKIS-UHFFFAOYSA-N
XLogP3.45
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.45
H-Bond Donors ≤ 52
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 2-(2,5-dimethoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (CID 3243515) is 2-(2,5-dimethoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is COc1ccc(OC)c(Nc2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)c1.
What is the InChIKey of 2-(2,5-dimethoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The InChIKey is OZCDRGAPQAFKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-31-18-8-9-23(32-2)22(16-18)28-24-17-20(19-6-3-4-7-21(19)27-24)25(30)26-10-5-11-29-12-14-33-15-13-29/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 2-(2,5-dimethoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
2-(2,5-dimethoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 3243515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).