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

C24H28N4O3 — CID 5308129

IUPAC2-(2-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NCCCN2CCOCC2)c2ccccc2n1
InChIInChI=1S/C24H28N4O3/c1-30-22-10-5-4-9-21(22)27-23-17-19(18-7-2-3-8-20(18)26-23)24(29)25-11-6-12-28-13-15-31-16-14-28/h2-5,7-10,17H,6,11-16H2,1H3,(H,25,29)(H,26,27)
InChIKeyUGQCLHKHKRZIMM-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.44
Rot. Bonds8

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

2-(2-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (PubChem CID 5308129) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
PubChem CID5308129
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-(2-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NCCCN2CCOCC2)c2ccccc2n1
InChIInChI=1S/C24H28N4O3/c1-30-22-10-5-4-9-21(22)27-23-17-19(18-7-2-3-8-20(18)26-23)24(29)25-11-6-12-28-13-15-31-16-14-28/h2-5,7-10,17H,6,11-16H2,1H3,(H,25,29)(H,26,27)
InChIKeyUGQCLHKHKRZIMM-UHFFFAOYSA-N
XLogP3.44
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (CID 5308129) is 2-(2-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is COc1ccccc1Nc1cc(C(=O)NCCCN2CCOCC2)c2ccccc2n1.
What is the InChIKey of 2-(2-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The InChIKey is UGQCLHKHKRZIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-30-22-10-5-4-9-21(22)27-23-17-19(18-7-2-3-8-20(18)26-23)24(29)25-11-6-12-28-13-15-31-16-14-28/h2-5,7-10,17H,6,11-16H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 2-(2-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
2-(2-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 5308129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).