2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propylacetamide

C15H19FN4O — CID 83164789

IUPAC2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H19FN4O/c1-3-6-18-13(21)9-20(2)15-11(16)8-12(17)10-5-4-7-19-14(10)15/h4-5,7-8H,3,6,9,17H2,1-2H3,(H,18,21)
InChIKeyRLSDUEFLQNOYJE-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.92
Rot. Bonds5

About 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propylacetamide

2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propylacetamide (PubChem CID 83164789) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propylacetamide
PubChem CID83164789
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H19FN4O/c1-3-6-18-13(21)9-20(2)15-11(16)8-12(17)10-5-4-7-19-14(10)15/h4-5,7-8H,3,6,9,17H2,1-2H3,(H,18,21)
InChIKeyRLSDUEFLQNOYJE-UHFFFAOYSA-N
XLogP1.92
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
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 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propylacetamide (CID 83164789) is 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1c(F)cc(N)c2cccnc12.
What is the InChIKey of 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propylacetamide?
The InChIKey is RLSDUEFLQNOYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-3-6-18-13(21)9-20(2)15-11(16)8-12(17)10-5-4-7-19-14(10)15/h4-5,7-8H,3,6,9,17H2,1-2H3,(H,18,21).
What are the key properties of 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propylacetamide?
2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propylacetamide has a molecular weight of 290.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N-propylacetamide is sourced from PubChem (CID 83164789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).