3-[(5-amino-7-fluoroquinolin-8-yl)amino]piperidin-2-one

C14H15FN4O — CID 83165156

IUPAC3-[(5-amino-7-fluoroquinolin-8-yl)amino]piperidin-2-one
SMILESNc1cc(F)c(NC2CCCNC2=O)c2ncccc12
InChIInChI=1S/C14H15FN4O/c15-9-7-10(16)8-3-1-5-17-12(8)13(9)19-11-4-2-6-18-14(11)20/h1,3,5,7,11,19H,2,4,6,16H2,(H,18,20)
InChIKeyUOKCUMZZBIOOGR-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.65
Rot. Bonds2

About 3-[(5-amino-7-fluoroquinolin-8-yl)amino]piperidin-2-one

3-[(5-amino-7-fluoroquinolin-8-yl)amino]piperidin-2-one (PubChem CID 83165156) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-[(5-amino-7-fluoroquinolin-8-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(5-amino-7-fluoroquinolin-8-yl)amino]piperidin-2-one
PubChem CID83165156
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name3-[(5-amino-7-fluoroquinolin-8-yl)amino]piperidin-2-one
SMILESNc1cc(F)c(NC2CCCNC2=O)c2ncccc12
InChIInChI=1S/C14H15FN4O/c15-9-7-10(16)8-3-1-5-17-12(8)13(9)19-11-4-2-6-18-14(11)20/h1,3,5,7,11,19H,2,4,6,16H2,(H,18,20)
InChIKeyUOKCUMZZBIOOGR-UHFFFAOYSA-N
XLogP1.65
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-7-fluoroquinolin-8-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(5-amino-7-fluoroquinolin-8-yl)amino]piperidin-2-one (CID 83165156) is 3-[(5-amino-7-fluoroquinolin-8-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(5-amino-7-fluoroquinolin-8-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(5-amino-7-fluoroquinolin-8-yl)amino]piperidin-2-one is Nc1cc(F)c(NC2CCCNC2=O)c2ncccc12.
What is the InChIKey of 3-[(5-amino-7-fluoroquinolin-8-yl)amino]piperidin-2-one?
The InChIKey is UOKCUMZZBIOOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-9-7-10(16)8-3-1-5-17-12(8)13(9)19-11-4-2-6-18-14(11)20/h1,3,5,7,11,19H,2,4,6,16H2,(H,18,20).
What are the key properties of 3-[(5-amino-7-fluoroquinolin-8-yl)amino]piperidin-2-one?
3-[(5-amino-7-fluoroquinolin-8-yl)amino]piperidin-2-one has a molecular weight of 274.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-7-fluoroquinolin-8-yl)amino]piperidin-2-one is sourced from PubChem (CID 83165156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).