2-(4-ethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide

C25H30N4O2 — CID 11957213

IUPAC2-(4-ethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESCCc1ccc(Nc2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C25H30N4O2/c1-2-19-8-10-20(11-9-19)27-24-18-22(21-6-3-4-7-23(21)28-24)25(30)26-12-5-13-29-14-16-31-17-15-29/h3-4,6-11,18H,2,5,12-17H2,1H3,(H,26,30)(H,27,28)
InChIKeyZZBVJFGIFUECFW-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.99
Rot. Bonds8

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

2-(4-ethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (PubChem CID 11957213) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-(4-ethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
PubChem CID11957213
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name2-(4-ethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESCCc1ccc(Nc2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C25H30N4O2/c1-2-19-8-10-20(11-9-19)27-24-18-22(21-6-3-4-7-23(21)28-24)25(30)26-12-5-13-29-14-16-31-17-15-29/h3-4,6-11,18H,2,5,12-17H2,1H3,(H,26,30)(H,27,28)
InChIKeyZZBVJFGIFUECFW-UHFFFAOYSA-N
XLogP3.99
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-ethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (CID 11957213) is 2-(4-ethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is CCc1ccc(Nc2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The InChIKey is ZZBVJFGIFUECFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-2-19-8-10-20(11-9-19)27-24-18-22(21-6-3-4-7-23(21)28-24)25(30)26-12-5-13-29-14-16-31-17-15-29/h3-4,6-11,18H,2,5,12-17H2,1H3,(H,26,30)(H,27,28).
What are the key properties of 2-(4-ethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
2-(4-ethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 11957213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).