potassium 3-(5-chloroquinolin-8-yl)oxyprop-1-en-2-yl-trifluoroboranuide

C12H9BClF3KNO — CID 106746593

IUPACpotassium 3-(5-chloroquinolin-8-yl)oxyprop-1-en-2-yl-trifluoroboranuide
SMILESC=C(COc1ccc(Cl)c2cccnc12)[B-](F)(F)F.[K+]
InChIInChI=1S/C12H9BClF3NO.K/c1-8(13(15,16)17)7-19-11-5-4-10(14)9-3-2-6-18-12(9)11;/h2-6H,1,7H2;/q-1;+1
InChIKeyFBLZLMYZNSNRBS-UHFFFAOYSA-N
MW325.57 g/mol
LogP1.21
Rot. Bonds4

About potassium 3-(5-chloroquinolin-8-yl)oxyprop-1-en-2-yl-trifluoroboranuide

potassium 3-(5-chloroquinolin-8-yl)oxyprop-1-en-2-yl-trifluoroboranuide (PubChem CID 106746593) has the molecular formula C12H9BClF3KNO and a molecular weight of 325.57 g/mol. Its IUPAC name is potassium 3-(5-chloroquinolin-8-yl)oxyprop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 3-(5-chloroquinolin-8-yl)oxyprop-1-en-2-yl-trifluoroboranuide
PubChem CID106746593
Molecular FormulaC12H9BClF3KNO
Molecular Weight325.57 g/mol
Exact Mass325.01
IUPAC Namepotassium 3-(5-chloroquinolin-8-yl)oxyprop-1-en-2-yl-trifluoroboranuide
SMILESC=C(COc1ccc(Cl)c2cccnc12)[B-](F)(F)F.[K+]
InChIInChI=1S/C12H9BClF3NO.K/c1-8(13(15,16)17)7-19-11-5-4-10(14)9-3-2-6-18-12(9)11;/h2-6H,1,7H2;/q-1;+1
InChIKeyFBLZLMYZNSNRBS-UHFFFAOYSA-N
XLogP1.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.57
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
N-tert-butyl-2-[(5-chloroquinolin-8-yl)oxymethyl]prop-2-en-1-amine
CID 103066735
CID 12945983
CID 12945983
propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 19390515
N-(3-chloro-4-fluorophenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716349
5-chloro-8-(6-chlorohexoxy)quinoline
CID 55193642
5-chloro-8-(5-chloropentoxy)quinoline
CID 43348411
O-dodecyl 2-(5-chloroquinolin-8-yl)oxyethanethioate
CID 19839509
2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8716441
N-(5-chloro-2-fluorophenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716254
N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
CID 55602763
N-(2-acetylphenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716322

Frequently Asked Questions

What is the IUPAC name of potassium 3-(5-chloroquinolin-8-yl)oxyprop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of potassium 3-(5-chloroquinolin-8-yl)oxyprop-1-en-2-yl-trifluoroboranuide (CID 106746593) is potassium 3-(5-chloroquinolin-8-yl)oxyprop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for potassium 3-(5-chloroquinolin-8-yl)oxyprop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for potassium 3-(5-chloroquinolin-8-yl)oxyprop-1-en-2-yl-trifluoroboranuide is C=C(COc1ccc(Cl)c2cccnc12)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-(5-chloroquinolin-8-yl)oxyprop-1-en-2-yl-trifluoroboranuide?
The InChIKey is FBLZLMYZNSNRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BClF3NO.K/c1-8(13(15,16)17)7-19-11-5-4-10(14)9-3-2-6-18-12(9)11;/h2-6H,1,7H2;/q-1;+1.
What are the key properties of potassium 3-(5-chloroquinolin-8-yl)oxyprop-1-en-2-yl-trifluoroboranuide?
potassium 3-(5-chloroquinolin-8-yl)oxyprop-1-en-2-yl-trifluoroboranuide has a molecular weight of 325.57 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(5-chloroquinolin-8-yl)oxyprop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106746593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).