3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium

C18H25ClN3O2+ — CID 3354209

IUPAC3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium
SMILESCCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCCC[NH+](C)C
InChIInChI=1S/C18H24ClN3O2/c1-5-24-18(23)15-11-21-16-12(2)9-13(19)10-14(16)17(15)20-7-6-8-22(3)4/h9-11H,5-8H2,1-4H3,(H,20,21)/p+1
InChIKeyJGQQBLDEWOBIGQ-UHFFFAOYSA-O
MW350.87 g/mol
LogP2.32
Rot. Bonds7

About 3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium

3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium (PubChem CID 3354209) has the molecular formula C18H25ClN3O2+ and a molecular weight of 350.87 g/mol. Its IUPAC name is 3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium
PubChem CID3354209
Molecular FormulaC18H25ClN3O2+
Molecular Weight350.87 g/mol
Exact Mass350.16
IUPAC Name3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium
SMILESCCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCCC[NH+](C)C
InChIInChI=1S/C18H24ClN3O2/c1-5-24-18(23)15-11-21-16-12(2)9-13(19)10-14(16)17(15)20-7-6-8-22(3)4/h9-11H,5-8H2,1-4H3,(H,20,21)/p+1
InChIKeyJGQQBLDEWOBIGQ-UHFFFAOYSA-O
XLogP2.32
TPSA55.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium with MolForge

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Related Compounds

ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate
CID 63486439
ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791591
ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate
CID 81256553
3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium
CID 3354208
ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate
CID 1186854
3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790542
ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate
CID 63486779
ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate
CID 63486784
ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate
CID 63486440
ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 1189481
ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
CID 3352918
methyl 4,6-dichloro-8-methylquinoline-3-carboxylate
CID 102614436

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium?
The IUPAC name of 3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium (CID 3354209) is 3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium.
What is the SMILES notation for 3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium?
The canonical SMILES for 3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium is CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCCC[NH+](C)C.
What is the InChIKey of 3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium?
The InChIKey is JGQQBLDEWOBIGQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H24ClN3O2/c1-5-24-18(23)15-11-21-16-12(2)9-13(19)10-14(16)17(15)20-7-6-8-22(3)4/h9-11H,5-8H2,1-4H3,(H,20,21)/p+1.
What are the key properties of 3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium?
3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium has a molecular weight of 350.87 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium is sourced from PubChem (CID 3354209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).