4-ethoxy-1-ethylquinolin-1-ium tetrafluoroborate

C13H16BF4NO — CID 22263271

IUPAC4-ethoxy-1-ethylquinolin-1-ium tetrafluoroborate
SMILESCCOc1cc[n+](CC)c2ccccc12.F[B-](F)(F)F
InChIInChI=1S/C13H16NO.BF4/c1-3-14-10-9-13(15-4-2)11-7-5-6-8-12(11)14;2-1(3,4)5/h5-10H,3-4H2,1-2H3;/q+1;-1
InChIKeyCJBSQIYEYJJJNA-UHFFFAOYSA-N
MW289.08 g/mol
LogP3.85
Rot. Bonds3

About 4-ethoxy-1-ethylquinolin-1-ium tetrafluoroborate

4-ethoxy-1-ethylquinolin-1-ium tetrafluoroborate (PubChem CID 22263271) has the molecular formula C13H16BF4NO and a molecular weight of 289.08 g/mol. Its IUPAC name is 4-ethoxy-1-ethylquinolin-1-ium tetrafluoroborate.

Molecular Properties

Compound Name4-ethoxy-1-ethylquinolin-1-ium tetrafluoroborate
PubChem CID22263271
Molecular FormulaC13H16BF4NO
Molecular Weight289.08 g/mol
Exact Mass289.13
IUPAC Name4-ethoxy-1-ethylquinolin-1-ium tetrafluoroborate
SMILESCCOc1cc[n+](CC)c2ccccc12.F[B-](F)(F)F
InChIInChI=1S/C13H16NO.BF4/c1-3-14-10-9-13(15-4-2)11-7-5-6-8-12(11)14;2-1(3,4)5/h5-10H,3-4H2,1-2H3;/q+1;-1
InChIKeyCJBSQIYEYJJJNA-UHFFFAOYSA-N
XLogP3.85
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium
CID 67367495
2,4-diethoxy-1-methylquinolin-1-ium
CID 10158034
ethoxybenzene tetrafluoroborate
CID 174807216
lithium;1-ethoxynaphthalene;hydride
CID 174613942
4-ethoxychromenylium
CID 12655463
4-ethoxynaphthalene-1-carboxamide;fluoromethane
CID 143061073
1-ethoxyphenanthrene
CID 19828992
(4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate
CID 88736257
O-(2-ethoxyphenyl)hydroxylamine
CID 70279336
N-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-N-phenylacetamide iodide
CID 6453313
1-ethoxy-5-propan-2-ylnaphthalene
CID 176668059
1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene
CID 171027360

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-ethylquinolin-1-ium tetrafluoroborate?
The IUPAC name of 4-ethoxy-1-ethylquinolin-1-ium tetrafluoroborate (CID 22263271) is 4-ethoxy-1-ethylquinolin-1-ium tetrafluoroborate.
What is the SMILES notation for 4-ethoxy-1-ethylquinolin-1-ium tetrafluoroborate?
The canonical SMILES for 4-ethoxy-1-ethylquinolin-1-ium tetrafluoroborate is CCOc1cc[n+](CC)c2ccccc12.F[B-](F)(F)F.
What is the InChIKey of 4-ethoxy-1-ethylquinolin-1-ium tetrafluoroborate?
The InChIKey is CJBSQIYEYJJJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16NO.BF4/c1-3-14-10-9-13(15-4-2)11-7-5-6-8-12(11)14;2-1(3,4)5/h5-10H,3-4H2,1-2H3;/q+1;-1.
What are the key properties of 4-ethoxy-1-ethylquinolin-1-ium tetrafluoroborate?
4-ethoxy-1-ethylquinolin-1-ium tetrafluoroborate has a molecular weight of 289.08 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-ethylquinolin-1-ium tetrafluoroborate is sourced from PubChem (CID 22263271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).