Molecule ID: 3025

IUPAC Name: 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide

Description: The molecule is a monocarboxylic acid amide that is the 2-(diethylamino)ethyl amide of 2-butoxyquinoline-4-carboxylic acid. One of the most potent and toxic of the long-acting local anesthetics, its parenteral use was restricted to spinal anesthesia. It is now generally only used (usually as the hydrochloride) in creams and ointments and in suppositories for temporary relief of pain and itching associated with skin and anorectal conditions. It has a role as a topical anaesthetic. It is a monocarboxylic acid amide, a tertiary amino compound and an aromatic ether.

SMILES: CCCCOc1cc(C(O)=NCCN(CC)CC)c2ccccc2n1

SELFIES: [C][C][C][C][O][C][=C][C][Branch1][#C][C][Branch1][C][O][=N][C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2]

InChI: InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)

Molecular Properties:
- Polar Surface Area: 54.5 Ų
- LogP: 4.4