2-[(5-amino-7-fluoroquinolin-8-yl)amino]propanamide

C12H13FN4O — CID 83165134

IUPAC2-[(5-amino-7-fluoroquinolin-8-yl)amino]propanamide
SMILESCC(Nc1c(F)cc(N)c2cccnc12)C(N)=O
InChIInChI=1S/C12H13FN4O/c1-6(12(15)18)17-11-8(13)5-9(14)7-3-2-4-16-10(7)11/h2-6,17H,14H2,1H3,(H2,15,18)
InChIKeyIEDSXKRKNOTRSY-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.24
Rot. Bonds3

About 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propanamide

2-[(5-amino-7-fluoroquinolin-8-yl)amino]propanamide (PubChem CID 83165134) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(5-amino-7-fluoroquinolin-8-yl)amino]propanamide
PubChem CID83165134
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name2-[(5-amino-7-fluoroquinolin-8-yl)amino]propanamide
SMILESCC(Nc1c(F)cc(N)c2cccnc12)C(N)=O
InChIInChI=1S/C12H13FN4O/c1-6(12(15)18)17-11-8(13)5-9(14)7-3-2-4-16-10(7)11/h2-6,17H,14H2,1H3,(H2,15,18)
InChIKeyIEDSXKRKNOTRSY-UHFFFAOYSA-N
XLogP1.24
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propanamide?
The IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propanamide (CID 83165134) is 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propanamide.
What is the SMILES notation for 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propanamide?
The canonical SMILES for 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propanamide is CC(Nc1c(F)cc(N)c2cccnc12)C(N)=O.
What is the InChIKey of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propanamide?
The InChIKey is IEDSXKRKNOTRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-6(12(15)18)17-11-8(13)5-9(14)7-3-2-4-16-10(7)11/h2-6,17H,14H2,1H3,(H2,15,18).
What are the key properties of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propanamide?
2-[(5-amino-7-fluoroquinolin-8-yl)amino]propanamide has a molecular weight of 248.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-7-fluoroquinolin-8-yl)amino]propanamide is sourced from PubChem (CID 83165134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).