2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide

C26H30N4O3 — CID 50816181

IUPAC2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C26H30N4O3/c1-18-4-9-24-22(16-18)23(26(32)27-10-3-11-30-12-14-33-15-13-30)17-25(29-24)20-5-7-21(8-6-20)28-19(2)31/h4-9,16-17H,3,10-15H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyOCKMMFXHGASGSX-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.62
Rot. Bonds7

About 2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide

2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (PubChem CID 50816181) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
PubChem CID50816181
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C26H30N4O3/c1-18-4-9-24-22(16-18)23(26(32)27-10-3-11-30-12-14-33-15-13-30)17-25(29-24)20-5-7-21(8-6-20)28-19(2)31/h4-9,16-17H,3,10-15H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyOCKMMFXHGASGSX-UHFFFAOYSA-N
XLogP3.62
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.62
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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Related Compounds

2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide
CID 46375387
2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976
6-methyl-N-(3-morpholin-4-ylpropyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3500045
6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798366
6-methyl-2-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 3485434
2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide
CID 46375371
6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 2933815
6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide
CID 42750139
2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide
CID 92879171
2-(4-acetamidophenyl)-6-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 46375393
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (CID 50816181) is 2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is CC(=O)Nc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3cc(C)ccc3n2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The InChIKey is OCKMMFXHGASGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-18-4-9-24-22(16-18)23(26(32)27-10-3-11-30-12-14-33-15-13-30)17-25(29-24)20-5-7-21(8-6-20)28-19(2)31/h4-9,16-17H,3,10-15H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of 2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 50816181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).