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

C25H30N4O2 — CID 5074062

IUPAC2-(3,4-dimethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)cc1C
InChIInChI=1S/C25H30N4O2/c1-18-8-9-20(16-19(18)2)27-24-17-22(21-6-3-4-7-23(21)28-24)25(30)26-10-5-11-29-12-14-31-15-13-29/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyMNZOCJMWOOFZRF-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.05
Rot. Bonds7

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

2-(3,4-dimethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (PubChem CID 5074062) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
PubChem CID5074062
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name2-(3,4-dimethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)cc1C
InChIInChI=1S/C25H30N4O2/c1-18-8-9-20(16-19(18)2)27-24-17-22(21-6-3-4-7-23(21)28-24)25(30)26-10-5-11-29-12-14-31-15-13-29/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyMNZOCJMWOOFZRF-UHFFFAOYSA-N
XLogP4.05
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3,4-dimethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (CID 5074062) is 2-(3,4-dimethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is Cc1ccc(Nc2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The InChIKey is MNZOCJMWOOFZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-8-9-20(16-19(18)2)27-24-17-22(21-6-3-4-7-23(21)28-24)25(30)26-10-5-11-29-12-14-31-15-13-29/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 2-(3,4-dimethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
2-(3,4-dimethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 5074062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).