2-(aminomethyl)-7-fluoro-3-methylquinolizin-4-one

C11H11FN2O — CID 129262542

IUPAC2-(aminomethyl)-7-fluoro-3-methylquinolizin-4-one
SMILESCc1c(CN)cc2ccc(F)cn2c1=O
InChIInChI=1S/C11H11FN2O/c1-7-8(5-13)4-10-3-2-9(12)6-14(10)11(7)15/h2-4,6H,5,13H2,1H3
InChIKeyRKJFNWXQJDCQBO-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.21
Rot. Bonds1

About 2-(aminomethyl)-7-fluoro-3-methylquinolizin-4-one

2-(aminomethyl)-7-fluoro-3-methylquinolizin-4-one (PubChem CID 129262542) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-(aminomethyl)-7-fluoro-3-methylquinolizin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-7-fluoro-3-methylquinolizin-4-one
PubChem CID129262542
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name2-(aminomethyl)-7-fluoro-3-methylquinolizin-4-one
SMILESCc1c(CN)cc2ccc(F)cn2c1=O
InChIInChI=1S/C11H11FN2O/c1-7-8(5-13)4-10-3-2-9(12)6-14(10)11(7)15/h2-4,6H,5,13H2,1H3
InChIKeyRKJFNWXQJDCQBO-UHFFFAOYSA-N
XLogP1.21
TPSA47.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-7-fluoro-3-methylquinolizin-4-one?
The IUPAC name of 2-(aminomethyl)-7-fluoro-3-methylquinolizin-4-one (CID 129262542) is 2-(aminomethyl)-7-fluoro-3-methylquinolizin-4-one.
What is the SMILES notation for 2-(aminomethyl)-7-fluoro-3-methylquinolizin-4-one?
The canonical SMILES for 2-(aminomethyl)-7-fluoro-3-methylquinolizin-4-one is Cc1c(CN)cc2ccc(F)cn2c1=O.
What is the InChIKey of 2-(aminomethyl)-7-fluoro-3-methylquinolizin-4-one?
The InChIKey is RKJFNWXQJDCQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7-8(5-13)4-10-3-2-9(12)6-14(10)11(7)15/h2-4,6H,5,13H2,1H3.
What are the key properties of 2-(aminomethyl)-7-fluoro-3-methylquinolizin-4-one?
2-(aminomethyl)-7-fluoro-3-methylquinolizin-4-one has a molecular weight of 206.22 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-7-fluoro-3-methylquinolizin-4-one is sourced from PubChem (CID 129262542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).