1-(aminomethyl)-7-fluoroquinolizin-4-one

C10H9FN2O — CID 115018888

IUPAC1-(aminomethyl)-7-fluoroquinolizin-4-one
SMILESNCc1ccc(=O)n2cc(F)ccc12
InChIInChI=1S/C10H9FN2O/c11-8-2-3-9-7(5-12)1-4-10(14)13(9)6-8/h1-4,6H,5,12H2
InChIKeyCBFHTVFXXFMUEB-UHFFFAOYSA-N
MW192.19 g/mol
LogP0.90
Rot. Bonds1

About 1-(aminomethyl)-7-fluoroquinolizin-4-one

1-(aminomethyl)-7-fluoroquinolizin-4-one (PubChem CID 115018888) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 1-(aminomethyl)-7-fluoroquinolizin-4-one.

Molecular Properties

Compound Name1-(aminomethyl)-7-fluoroquinolizin-4-one
PubChem CID115018888
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name1-(aminomethyl)-7-fluoroquinolizin-4-one
SMILESNCc1ccc(=O)n2cc(F)ccc12
InChIInChI=1S/C10H9FN2O/c11-8-2-3-9-7(5-12)1-4-10(14)13(9)6-8/h1-4,6H,5,12H2
InChIKeyCBFHTVFXXFMUEB-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 1-(aminomethyl)-7-fluoroquinolizin-4-one?
The IUPAC name of 1-(aminomethyl)-7-fluoroquinolizin-4-one (CID 115018888) is 1-(aminomethyl)-7-fluoroquinolizin-4-one.
What is the SMILES notation for 1-(aminomethyl)-7-fluoroquinolizin-4-one?
The canonical SMILES for 1-(aminomethyl)-7-fluoroquinolizin-4-one is NCc1ccc(=O)n2cc(F)ccc12.
What is the InChIKey of 1-(aminomethyl)-7-fluoroquinolizin-4-one?
The InChIKey is CBFHTVFXXFMUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-8-2-3-9-7(5-12)1-4-10(14)13(9)6-8/h1-4,6H,5,12H2.
What are the key properties of 1-(aminomethyl)-7-fluoroquinolizin-4-one?
1-(aminomethyl)-7-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 1-(aminomethyl)-7-fluoroquinolizin-4-one is sourced from PubChem (CID 115018888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).