2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide

C23H25N3O3 — CID 46375371

IUPAC2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2ccc(C)cc12
InChIInChI=1S/C23H25N3O3/c1-15-5-10-21-19(13-15)20(23(28)24-11-4-12-29-3)14-22(26-21)17-6-8-18(9-7-17)25-16(2)27/h5-10,13-14H,4,11-12H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyZAQGFVLBJNVATA-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.93
Rot. Bonds7

About 2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide

2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide (PubChem CID 46375371) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide
PubChem CID46375371
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2ccc(C)cc12
InChIInChI=1S/C23H25N3O3/c1-15-5-10-21-19(13-15)20(23(28)24-11-4-12-29-3)14-22(26-21)17-6-8-18(9-7-17)25-16(2)27/h5-10,13-14H,4,11-12H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyZAQGFVLBJNVATA-UHFFFAOYSA-N
XLogP3.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.93
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-piperidin-1-ylpropyl)quinoline-4-carboxamide
CID 46375387
2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 46375324
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719
2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 50816181
2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
CID 42749978
N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42749642
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
2-(4-acetamidophenyl)-6-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 46375393
2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide
CID 92879171
2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide
CID 46375355
2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 42749977
2-(4-fluorophenyl)-6-methyl-N-(4-methylphenyl)quinoline-4-carboxamide
CID 42749727

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide (CID 46375371) is 2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide is COCCCNC(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2ccc(C)cc12.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide?
The InChIKey is ZAQGFVLBJNVATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-5-10-21-19(13-15)20(23(28)24-11-4-12-29-3)14-22(26-21)17-6-8-18(9-7-17)25-16(2)27/h5-10,13-14H,4,11-12H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide?
2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide is sourced from PubChem (CID 46375371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).