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

C24H28N4O3 — CID 24793582

IUPAC2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C24H28N4O3/c1-30-19-9-7-18(8-10-19)26-23-17-21(20-5-2-3-6-22(20)27-23)24(29)25-11-4-12-28-13-15-31-16-14-28/h2-3,5-10,17H,4,11-16H2,1H3,(H,25,29)(H,26,27)
InChIKeyUVEPNHHDZMIZGW-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.44
Rot. Bonds8

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

2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (PubChem CID 24793582) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
PubChem CID24793582
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C24H28N4O3/c1-30-19-9-7-18(8-10-19)26-23-17-21(20-5-2-3-6-22(20)27-23)24(29)25-11-4-12-28-13-15-31-16-14-28/h2-3,5-10,17H,4,11-16H2,1H3,(H,25,29)(H,26,27)
InChIKeyUVEPNHHDZMIZGW-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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Related Compounds

2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 2965752
2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 117089914
2-(4-ethoxyphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 4069976
2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976
2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
CID 20854390
N-(2,2-dimethoxyethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 46253310
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 117094318
N-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide
CID 117090394
2-(3-methoxyphenyl)-N-[3-[4-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]piperazin-1-yl]propyl]quinoline-4-carboxamide
CID 4139661
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854384
2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 22422673

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (CID 24793582) is 2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is COc1ccc(Nc2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The InChIKey is UVEPNHHDZMIZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-30-19-9-7-18(8-10-19)26-23-17-21(20-5-2-3-6-22(20)27-23)24(29)25-11-4-12-28-13-15-31-16-14-28/h2-3,5-10,17H,4,11-16H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
2-(4-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-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 24793582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).