2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide

C27H32N4O2 — CID 46375387

IUPAC2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)NCCCN3CCCCC3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C27H32N4O2/c1-19-7-12-25-23(17-19)24(27(33)28-13-6-16-31-14-4-3-5-15-31)18-26(30-25)21-8-10-22(11-9-21)29-20(2)32/h7-12,17-18H,3-6,13-16H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyHUZFRIJBGQHKHE-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.77
Rot. Bonds7

About 2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide

2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide (PubChem CID 46375387) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide
PubChem CID46375387
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)NCCCN3CCCCC3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C27H32N4O2/c1-19-7-12-25-23(17-19)24(27(33)28-13-6-16-31-14-4-3-5-15-31)18-26(30-25)21-8-10-22(11-9-21)29-20(2)32/h7-12,17-18H,3-6,13-16H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyHUZFRIJBGQHKHE-UHFFFAOYSA-N
XLogP4.77
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 50816181
2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide
CID 46375371
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-(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
N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxamide
CID 3443763
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798366
6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659166
6-methyl-2-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 3485434
2-(furan-2-yl)-6-methyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 42749836

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide (CID 46375387) is 2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide is CC(=O)Nc1ccc(-c2cc(C(=O)NCCCN3CCCCC3)c3cc(C)ccc3n2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide?
The InChIKey is HUZFRIJBGQHKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-19-7-12-25-23(17-19)24(27(33)28-13-6-16-31-14-4-3-5-15-31)18-26(30-25)21-8-10-22(11-9-21)29-20(2)32/h7-12,17-18H,3-6,13-16H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of 2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide?
2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 46375387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).