3-(aminomethyl)-9-fluoroquinolizin-4-one

C10H9FN2O — CID 115018883

IUPAC3-(aminomethyl)-9-fluoroquinolizin-4-one
SMILESNCc1ccc2c(F)cccn2c1=O
InChIInChI=1S/C10H9FN2O/c11-8-2-1-5-13-9(8)4-3-7(6-12)10(13)14/h1-5H,6,12H2
InChIKeyGINXOVLJMNNOLW-UHFFFAOYSA-N
MW192.19 g/mol
LogP0.90
Rot. Bonds1

About 3-(aminomethyl)-9-fluoroquinolizin-4-one

3-(aminomethyl)-9-fluoroquinolizin-4-one (PubChem CID 115018883) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 3-(aminomethyl)-9-fluoroquinolizin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-9-fluoroquinolizin-4-one
PubChem CID115018883
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name3-(aminomethyl)-9-fluoroquinolizin-4-one
SMILESNCc1ccc2c(F)cccn2c1=O
InChIInChI=1S/C10H9FN2O/c11-8-2-1-5-13-9(8)4-3-7(6-12)10(13)14/h1-5H,6,12H2
InChIKeyGINXOVLJMNNOLW-UHFFFAOYSA-N
XLogP0.90
TPSA47.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-9-fluoroquinolizin-4-one?
The IUPAC name of 3-(aminomethyl)-9-fluoroquinolizin-4-one (CID 115018883) is 3-(aminomethyl)-9-fluoroquinolizin-4-one.
What is the SMILES notation for 3-(aminomethyl)-9-fluoroquinolizin-4-one?
The canonical SMILES for 3-(aminomethyl)-9-fluoroquinolizin-4-one is NCc1ccc2c(F)cccn2c1=O.
What is the InChIKey of 3-(aminomethyl)-9-fluoroquinolizin-4-one?
The InChIKey is GINXOVLJMNNOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-8-2-1-5-13-9(8)4-3-7(6-12)10(13)14/h1-5H,6,12H2.
What are the key properties of 3-(aminomethyl)-9-fluoroquinolizin-4-one?
3-(aminomethyl)-9-fluoroquinolizin-4-one has a molecular weight of 192.19 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-9-fluoroquinolizin-4-one is sourced from PubChem (CID 115018883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).