3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium

C20H28N3O4+ — CID 3354208

IUPAC3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium
SMILESCCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCC[NH+](C)C)c2c1
InChIInChI=1S/C20H27N3O4/c1-5-26-19(24)14-8-9-17-15(12-14)18(21-10-7-11-23(3)4)16(13-22-17)20(25)27-6-2/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,21,22)/p+1
InChIKeyVEUXHOPWCCVNPH-UHFFFAOYSA-O
MW374.46 g/mol
LogP1.53
Rot. Bonds9

About 3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium

3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium (PubChem CID 3354208) has the molecular formula C20H28N3O4+ and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium
PubChem CID3354208
Molecular FormulaC20H28N3O4+
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium
SMILESCCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCC[NH+](C)C)c2c1
InChIInChI=1S/C20H27N3O4/c1-5-26-19(24)14-8-9-17-15(12-14)18(21-10-7-11-23(3)4)16(13-22-17)20(25)27-6-2/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,21,22)/p+1
InChIKeyVEUXHOPWCCVNPH-UHFFFAOYSA-O
XLogP1.53
TPSA81.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium 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

diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
CID 1078338
3-O-ethyl 6-O-methyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
CID 725474
3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium
CID 3354209
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate
CID 23878770
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate
CID 23794912
ethyl 6-bromo-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 992369
ethyl 4-[3-(dimethylamino)propylamino]-6-phenoxyquinoline-3-carboxylate
CID 172914482
ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate
CID 2791600
ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
3-O-ethyl 6-O-methyl 4-(2-ethylanilino)quinoline-3,6-dicarboxylate
CID 1187581

Frequently Asked Questions

What is the IUPAC name of 3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium?
The IUPAC name of 3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium (CID 3354208) is 3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium.
What is the SMILES notation for 3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium?
The canonical SMILES for 3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium is CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCC[NH+](C)C)c2c1.
What is the InChIKey of 3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium?
The InChIKey is VEUXHOPWCCVNPH-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H27N3O4/c1-5-26-19(24)14-8-9-17-15(12-14)18(21-10-7-11-23(3)4)16(13-22-17)20(25)27-6-2/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,21,22)/p+1.
What are the key properties of 3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium?
3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium has a molecular weight of 374.46 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium is sourced from PubChem (CID 3354208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).