diethyl-[3-(5-fluoro-7-methoxyquinoline-3-carbonyl)oxypropyl]azanium

C18H24FN2O3+ — CID 145333179

IUPACdiethyl-[3-(5-fluoro-7-methoxyquinoline-3-carbonyl)oxypropyl]azanium
SMILESCC[NH+](CC)CCCOC(=O)c1cnc2cc(OC)cc(F)c2c1
InChIInChI=1S/C18H23FN2O3/c1-4-21(5-2)7-6-8-24-18(22)13-9-15-16(19)10-14(23-3)11-17(15)20-12-13/h9-12H,4-8H2,1-3H3/p+1
InChIKeyDTQJJNIVVCJWKW-UHFFFAOYSA-O
MW335.40 g/mol
LogP1.85
Rot. Bonds8

About diethyl-[3-(5-fluoro-7-methoxyquinoline-3-carbonyl)oxypropyl]azanium

diethyl-[3-(5-fluoro-7-methoxyquinoline-3-carbonyl)oxypropyl]azanium (PubChem CID 145333179) has the molecular formula C18H24FN2O3+ and a molecular weight of 335.40 g/mol. Its IUPAC name is diethyl-[3-(5-fluoro-7-methoxyquinoline-3-carbonyl)oxypropyl]azanium.

Molecular Properties

Compound Namediethyl-[3-(5-fluoro-7-methoxyquinoline-3-carbonyl)oxypropyl]azanium
PubChem CID145333179
Molecular FormulaC18H24FN2O3+
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Namediethyl-[3-(5-fluoro-7-methoxyquinoline-3-carbonyl)oxypropyl]azanium
SMILESCC[NH+](CC)CCCOC(=O)c1cnc2cc(OC)cc(F)c2c1
InChIInChI=1S/C18H23FN2O3/c1-4-21(5-2)7-6-8-24-18(22)13-9-15-16(19)10-14(23-3)11-17(15)20-12-13/h9-12H,4-8H2,1-3H3/p+1
InChIKeyDTQJJNIVVCJWKW-UHFFFAOYSA-O
XLogP1.85
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride
CID 20291
2-(3,4-dimethoxyphenoxy)ethyl-ethyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]azanium chloride
CID 110186006
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate
CID 129247905
butyl quinoline-3-carboxylate
CID 54753708
diethyl-[2-(4-pentoxybenzoyl)oxyethyl]azanium chloride
CID 30179
dipropyl 5-methoxybenzene-1,3-dicarboxylate
CID 20702798
8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate
CID 22375919
icosyl 4-methoxybenzoate
CID 71438594
diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium
CID 8961515
diethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride
CID 44668198
dibutyl pyridine-2,5-dicarboxylate
CID 4266603

Frequently Asked Questions

What is the IUPAC name of diethyl-[3-(5-fluoro-7-methoxyquinoline-3-carbonyl)oxypropyl]azanium?
The IUPAC name of diethyl-[3-(5-fluoro-7-methoxyquinoline-3-carbonyl)oxypropyl]azanium (CID 145333179) is diethyl-[3-(5-fluoro-7-methoxyquinoline-3-carbonyl)oxypropyl]azanium.
What is the SMILES notation for diethyl-[3-(5-fluoro-7-methoxyquinoline-3-carbonyl)oxypropyl]azanium?
The canonical SMILES for diethyl-[3-(5-fluoro-7-methoxyquinoline-3-carbonyl)oxypropyl]azanium is CC[NH+](CC)CCCOC(=O)c1cnc2cc(OC)cc(F)c2c1.
What is the InChIKey of diethyl-[3-(5-fluoro-7-methoxyquinoline-3-carbonyl)oxypropyl]azanium?
The InChIKey is DTQJJNIVVCJWKW-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23FN2O3/c1-4-21(5-2)7-6-8-24-18(22)13-9-15-16(19)10-14(23-3)11-17(15)20-12-13/h9-12H,4-8H2,1-3H3/p+1.
What are the key properties of diethyl-[3-(5-fluoro-7-methoxyquinoline-3-carbonyl)oxypropyl]azanium?
diethyl-[3-(5-fluoro-7-methoxyquinoline-3-carbonyl)oxypropyl]azanium has a molecular weight of 335.40 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[3-(5-fluoro-7-methoxyquinoline-3-carbonyl)oxypropyl]azanium is sourced from PubChem (CID 145333179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).