N-(4-chlorophenyl)acetamide;1-[3-[4-[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propyl]imidazole-2-carboxylic acid

C32H33ClN4O5 — CID 143124394

About N-(4-chlorophenyl)acetamide;1-[3-[4-[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propyl]imidazole-2-carboxylic acid

N-(4-chlorophenyl)acetamide;1-[3-[4-[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propyl]imidazole-2-carboxylic acid (PubChem CID 143124394) has the molecular formula C32H33ClN4O5 and a molecular weight of 589.09 g/mol. Its IUPAC name is N-(4-chlorophenyl)acetamide;1-[3-[4-[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propyl]imidazole-2-carboxylic acid.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)acetamide;1-[3-[4-[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propyl]imidazole-2-carboxylic acid
• PubChem CID: 143124394
• Molecular Formula: C32H33ClN4O5
• Molecular Weight: 589.09 g/mol
• Exact Mass: 588.21
• IUPAC Name: N-(4-chlorophenyl)acetamide;1-[3-[4-[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propyl]imidazole-2-carboxylic acid
• SMILES: CC(=O)Nc1ccc(Cl)cc1.C[C@H]1CCc2ccccc2N1C(=O)c1ccc(OCCCn2ccnc2C(=O)O)cc1
• InChI: InChI=1S/C24H25N3O4.C8H8ClNO/c1-17-7-8-18-5-2-3-6-21(18)27(17)23(28)19-9-11-20(12-10-19)31-16-4-14-26-15-13-25-22(26)24(29)30;1-6(11)10-8-4-2-7(9)3-5-8/h2-3,5-6,9-13,15,17H,4,7-8,14,16H2,1H3,(H,29,30);2-5H,1H3,(H,10,11)/t17-;/m0./s1
• InChIKey: HKKWCYRNZIKKTK-LMOVPXPDSA-N
• XLogP: 6.33
• TPSA: 113.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.09
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)acetamide;1-[3-[4-[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propyl]imidazole-2-carboxylic acid?

The IUPAC name of N-(4-chlorophenyl)acetamide;1-[3-[4-[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propyl]imidazole-2-carboxylic acid (CID 143124394) is N-(4-chlorophenyl)acetamide;1-[3-[4-[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propyl]imidazole-2-carboxylic acid.

What is the SMILES notation for N-(4-chlorophenyl)acetamide;1-[3-[4-[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propyl]imidazole-2-carboxylic acid?

The canonical SMILES for N-(4-chlorophenyl)acetamide;1-[3-[4-[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propyl]imidazole-2-carboxylic acid is CC(=O)Nc1ccc(Cl)cc1.C[C@H]1CCc2ccccc2N1C(=O)c1ccc(OCCCn2ccnc2C(=O)O)cc1.

What is the InChIKey of N-(4-chlorophenyl)acetamide;1-[3-[4-[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propyl]imidazole-2-carboxylic acid?

The InChIKey is HKKWCYRNZIKKTK-LMOVPXPDSA-N. The full InChI is InChI=1S/C24H25N3O4.C8H8ClNO/c1-17-7-8-18-5-2-3-6-21(18)27(17)23(28)19-9-11-20(12-10-19)31-16-4-14-26-15-13-25-22(26)24(29)30;1-6(11)10-8-4-2-7(9)3-5-8/h2-3,5-6,9-13,15,17H,4,7-8,14,16H2,1H3,(H,29,30);2-5H,1H3,(H,10,11)/t17-;/m0./s1.

What are the key properties of N-(4-chlorophenyl)acetamide;1-[3-[4-[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propyl]imidazole-2-carboxylic acid?

N-(4-chlorophenyl)acetamide;1-[3-[4-[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propyl]imidazole-2-carboxylic acid has a molecular weight of 589.09 g/mol, XLogP of 6.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)acetamide;1-[3-[4-[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]propyl]imidazole-2-carboxylic acid is sourced from PubChem (CID 143124394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).