8-[3-(aminomethyl)azetidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one

C17H20FN3O — CID 154447732

IUPAC8-[3-(aminomethyl)azetidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
SMILESCc1c(N2CC(CN)C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C17H20FN3O/c1-10-16-13(12-2-3-12)4-5-15(22)21(16)9-14(18)17(10)20-7-11(6-19)8-20/h4-5,9,11-12H,2-3,6-8,19H2,1H3
InChIKeyUCANOMUOJWWHLC-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.02
Rot. Bonds3

About 8-[3-(aminomethyl)azetidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one

8-[3-(aminomethyl)azetidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one (PubChem CID 154447732) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 8-[3-(aminomethyl)azetidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one.

Molecular Properties

Compound Name8-[3-(aminomethyl)azetidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
PubChem CID154447732
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name8-[3-(aminomethyl)azetidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
SMILESCc1c(N2CC(CN)C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C17H20FN3O/c1-10-16-13(12-2-3-12)4-5-15(22)21(16)9-14(18)17(10)20-7-11(6-19)8-20/h4-5,9,11-12H,2-3,6-8,19H2,1H3
InChIKeyUCANOMUOJWWHLC-UHFFFAOYSA-N
XLogP2.02
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(aminomethyl)azetidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The IUPAC name of 8-[3-(aminomethyl)azetidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one (CID 154447732) is 8-[3-(aminomethyl)azetidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one.
What is the SMILES notation for 8-[3-(aminomethyl)azetidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The canonical SMILES for 8-[3-(aminomethyl)azetidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one is Cc1c(N2CC(CN)C2)c(F)cn2c(=O)ccc(C3CC3)c12.
What is the InChIKey of 8-[3-(aminomethyl)azetidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The InChIKey is UCANOMUOJWWHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-10-16-13(12-2-3-12)4-5-15(22)21(16)9-14(18)17(10)20-7-11(6-19)8-20/h4-5,9,11-12H,2-3,6-8,19H2,1H3.
What are the key properties of 8-[3-(aminomethyl)azetidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
8-[3-(aminomethyl)azetidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one has a molecular weight of 301.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(aminomethyl)azetidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one is sourced from PubChem (CID 154447732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).