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

C13H15FN4O — CID 83165663

IUPAC2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C13H15FN4O/c1-7(13(19)16-2)18-12-9(14)6-10(15)8-4-3-5-17-11(8)12/h3-7,18H,15H2,1-2H3,(H,16,19)
InChIKeyPJWGTGAOTPDMFR-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.50
Rot. Bonds3

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

2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-methylpropanamide (PubChem CID 83165663) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-methylpropanamide
PubChem CID83165663
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C13H15FN4O/c1-7(13(19)16-2)18-12-9(14)6-10(15)8-4-3-5-17-11(8)12/h3-7,18H,15H2,1-2H3,(H,16,19)
InChIKeyPJWGTGAOTPDMFR-UHFFFAOYSA-N
XLogP1.50
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.50
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 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-methylpropanamide (CID 83165663) is 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-methylpropanamide is CNC(=O)C(C)Nc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-methylpropanamide?
The InChIKey is PJWGTGAOTPDMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-7(13(19)16-2)18-12-9(14)6-10(15)8-4-3-5-17-11(8)12/h3-7,18H,15H2,1-2H3,(H,16,19).
What are the key properties of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-methylpropanamide?
2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-methylpropanamide has a molecular weight of 262.29 g/mol, XLogP of 1.50, 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]-N-methylpropanamide is sourced from PubChem (CID 83165663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).