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

C20H29N3O2 — CID 3025

💊View drug profile → cinchocaine
IUPAC2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
SMILESCCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1
InChIInChI=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)
InChIKeyPUFQVTATUTYEAL-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.49
Rot. Bonds10

About 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide

2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide (PubChem CID 3025) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
PubChem CID3025
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
SMILESCCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1
InChIInChI=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)
InChIKeyPUFQVTATUTYEAL-UHFFFAOYSA-N
XLogP3.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Piboserod
CID 177336
Dibucaine Hydrochloride
CID 521951
CP-457920
CID 9831581
N-(4-(2-(hydroxyamino)-2-oxoethyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10160968
KF 17643
CID 132697
N-(((S)-Hydroxycarbamoyl)-{(R)-1-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-2-oxo-pyrrolidin-3-yl}-methyl)-benzamide
CID 9936625
(3R,4R)-rel-Tetrahydro-N-hydroxy-4-[[4-[(2-methyl-4-quinolinyl)methoxy]benzoyl]amino]-2H-pyran-3-carboxamide
CID 10252411
(3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-propan-2-ylpyrrolidine-3-carboxamide
CID 10276473
N-(3-(hydroxyamino)-3-oxopropyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10293089
N-((1R,2S)-2-(hydroxycarbamoyl)cyclopentyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10387351
(3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)methoxy)benzamido)-1-(prop-2-ynyl)pyrrolidine-3-carboxamide
CID 11753905
2-Pentyloxy-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44339912

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide (CID 3025) is 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide is CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1.
What is the InChIKey of 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide?
The InChIKey is PUFQVTATUTYEAL-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide?
2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 3025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).