N-(cyclooctylmethyl)-N-[3-(diethylamino)propyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide;oxalic acid

C32H49N3O7 — CID 14747792

About N-(cyclooctylmethyl)-N-[3-(diethylamino)propyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide;oxalic acid

N-(cyclooctylmethyl)-N-[3-(diethylamino)propyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide;oxalic acid (PubChem CID 14747792) has the molecular formula C32H49N3O7 and a molecular weight of 587.76 g/mol. Its IUPAC name is N-(cyclooctylmethyl)-N-[3-(diethylamino)propyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide;oxalic acid.

Molecular Properties

• Compound Name: N-(cyclooctylmethyl)-N-[3-(diethylamino)propyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide;oxalic acid
• PubChem CID: 14747792
• Molecular Formula: C32H49N3O7
• Molecular Weight: 587.76 g/mol
• Exact Mass: 587.36
• IUPAC Name: N-(cyclooctylmethyl)-N-[3-(diethylamino)propyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide;oxalic acid
• SMILES: CCN(CC)CCCN(CC1CCCCCCC1)C(=O)CCCCOc1ccc2[nH]c(=O)ccc2c1.O=C(O)C(=O)O
• InChI: InChI=1S/C30H47N3O3.C2H2O4/c1-3-32(4-2)20-12-21-33(24-25-13-8-6-5-7-9-14-25)30(35)15-10-11-22-36-27-17-18-28-26(23-27)16-19-29(34)31-28;3-1(4)2(5)6/h16-19,23,25H,3-15,20-22,24H2,1-2H3,(H,31,34);(H,3,4)(H,5,6)
• InChIKey: WGDBQRALYJKKFW-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 140.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.76
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylmethyl)-N-[3-(diethylamino)propyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide;oxalic acid?

The IUPAC name of N-(cyclooctylmethyl)-N-[3-(diethylamino)propyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide;oxalic acid (CID 14747792) is N-(cyclooctylmethyl)-N-[3-(diethylamino)propyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide;oxalic acid.

What is the SMILES notation for N-(cyclooctylmethyl)-N-[3-(diethylamino)propyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide;oxalic acid?

The canonical SMILES for N-(cyclooctylmethyl)-N-[3-(diethylamino)propyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide;oxalic acid is CCN(CC)CCCN(CC1CCCCCCC1)C(=O)CCCCOc1ccc2[nH]c(=O)ccc2c1.O=C(O)C(=O)O.

What is the InChIKey of N-(cyclooctylmethyl)-N-[3-(diethylamino)propyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide;oxalic acid?

The InChIKey is WGDBQRALYJKKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47N3O3.C2H2O4/c1-3-32(4-2)20-12-21-33(24-25-13-8-6-5-7-9-14-25)30(35)15-10-11-22-36-27-17-18-28-26(23-27)16-19-29(34)31-28;3-1(4)2(5)6/h16-19,23,25H,3-15,20-22,24H2,1-2H3,(H,31,34);(H,3,4)(H,5,6).

What are the key properties of N-(cyclooctylmethyl)-N-[3-(diethylamino)propyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide;oxalic acid?

N-(cyclooctylmethyl)-N-[3-(diethylamino)propyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide;oxalic acid has a molecular weight of 587.76 g/mol, XLogP of 5.15, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclooctylmethyl)-N-[3-(diethylamino)propyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide;oxalic acid is sourced from PubChem (CID 14747792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).