General Information of the Compound
Compound ID
CP0162622
Compound Name
2-butoxy-N-[2-(diethylamino)ethyl]-4-quinolinecarboxamide;hydrochloride
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Synonyms
2-Butoxy-N-(2-(diethylamino)ethyl)cinchoninamide
2-Butoxy-N-(beta-diethylaminoethyl)cinchoninamide
2-Butoxy-N-(beta.-diethylaminoethyl)cinchoninamide
2-Butoxy-N-[2-(diethylamino)ethyl]-4-quinolinecarboxamide
2-Butoxy-N-[2-(diethylamino)ethyl]cinchoninamide
2-Butoxy-quinoline-4-carboxylic acid (2-diethylamino-ethyl)-amide
2-Butoxyquinoline-4-carboxylic acid diethylaminoethylamide
2-N-Butoxy-N-(2-diethylaminoethyl)cinchoninamide
2-butoxy-N-(2-diethylaminoethyl)quinoline-4-carboxamide
2-butoxy-N-(alpha-diethylaminoethyl)cinchoninamide
2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
Alpha-Butyloxycinchonic acid-gamma-diethylethylenediamine
Alpha-Butyloxycinchoninic acid diethylethylenediamide
Cincain (TN)
Cincainum
Cinchocaine
Cinchocaine (INN);Cinchocainum [INN-Latin]
Cinchocaine HCL
Cinchocaine hydrochloride
Cinchocainum
Cincocaina
Cincocaina [DCIT]
Cincocainio
Cincocainio [INN-Spanish]
Dermacaine
Dibucain
Dibucaine
Dibucaine (USP)
Dibucaine Base
Dibucaine [USP]
Dibucainum
N-(2-(Diethylamino)ethyl)-2-butoxycinchoninamide
N-[2-(Diethylamino)ethyl]-2-butoxycinchoninamide
Nupercainal
Nupercainal (TN)
Nupercainal (VAN)
Nupercaine
Nupercaine (TN)
Percamine
QUINOLINE,2-BUTOXY,4-CARBOXY,(N-TRIETHYLAMINO) AMIDE CINCHOCAIN
Sovcaine
Sovcaine (TN)
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Structure
Formula
C20H29N3O2
Molecular Weight
343.471
Canonical SMILES
CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1
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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)
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InChIKey
PUFQVTATUTYEAL-UHFFFAOYSA-N
CAS
85-79-0
Physicochemical Property
logP
3.4853
Rotatable Bonds
10
Heavy Atom Count
25
Polar Areas
54.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 3025
SID: 14802538
ChEMBL ID
CHEMBL1086
DrugBank ID
DB00527
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 20596.2 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Dibucaine )
Drug Name Dibucaine
Company Novartis Pharmaceuticals Corp
Indication
Anaesthesia
Approved
Target(s)
Voltage-gated sodium channel alpha Nav1.5 (SCN5A)
Blocker