1-ethyl-7-fluoroquinolin-1-ium

C11H11FN+ — CID 44723590

IUPAC1-ethyl-7-fluoroquinolin-1-ium
SMILESCC[n+]1cccc2ccc(F)cc21
InChIInChI=1S/C11H11FN/c1-2-13-7-3-4-9-5-6-10(12)8-11(9)13/h3-8H,2H2,1H3/q+1
InChIKeyAYENOZXMPRBMJI-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.29
Rot. Bonds1

About 1-ethyl-7-fluoroquinolin-1-ium

1-ethyl-7-fluoroquinolin-1-ium (PubChem CID 44723590) has the molecular formula C11H11FN+ and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-ethyl-7-fluoroquinolin-1-ium.

Molecular Properties

Compound Name1-ethyl-7-fluoroquinolin-1-ium
PubChem CID44723590
Molecular FormulaC11H11FN+
Molecular Weight176.21 g/mol
Exact Mass176.09
IUPAC Name1-ethyl-7-fluoroquinolin-1-ium
SMILESCC[n+]1cccc2ccc(F)cc21
InChIInChI=1S/C11H11FN/c1-2-13-7-3-4-9-5-6-10(12)8-11(9)13/h3-8H,2H2,1H3/q+1
InChIKeyAYENOZXMPRBMJI-UHFFFAOYSA-N
XLogP2.29
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-fluoroquinolin-1-ium?
The IUPAC name of 1-ethyl-7-fluoroquinolin-1-ium (CID 44723590) is 1-ethyl-7-fluoroquinolin-1-ium.
What is the SMILES notation for 1-ethyl-7-fluoroquinolin-1-ium?
The canonical SMILES for 1-ethyl-7-fluoroquinolin-1-ium is CC[n+]1cccc2ccc(F)cc21.
What is the InChIKey of 1-ethyl-7-fluoroquinolin-1-ium?
The InChIKey is AYENOZXMPRBMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN/c1-2-13-7-3-4-9-5-6-10(12)8-11(9)13/h3-8H,2H2,1H3/q+1.
What are the key properties of 1-ethyl-7-fluoroquinolin-1-ium?
1-ethyl-7-fluoroquinolin-1-ium has a molecular weight of 176.21 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-fluoroquinolin-1-ium is sourced from PubChem (CID 44723590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).