4-amino-8-bromo-N-cyclobutyl-7-fluorocinnoline-3-carboxamide

C13H12BrFN4O — CID 67229734

IUPAC4-amino-8-bromo-N-cyclobutyl-7-fluorocinnoline-3-carboxamide
SMILESNc1c(C(=O)NC2CCC2)nnc2c(Br)c(F)ccc12
InChIInChI=1S/C13H12BrFN4O/c14-9-8(15)5-4-7-10(16)12(19-18-11(7)9)13(20)17-6-2-1-3-6/h4-6H,1-3H2,(H2,16,18)(H,17,20)
InChIKeyYESIKRYHTIPTEZ-UHFFFAOYSA-N
MW339.17 g/mol
LogP2.40
Rot. Bonds2

About 4-amino-8-bromo-N-cyclobutyl-7-fluorocinnoline-3-carboxamide

4-amino-8-bromo-N-cyclobutyl-7-fluorocinnoline-3-carboxamide (PubChem CID 67229734) has the molecular formula C13H12BrFN4O and a molecular weight of 339.17 g/mol. Its IUPAC name is 4-amino-8-bromo-N-cyclobutyl-7-fluorocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-bromo-N-cyclobutyl-7-fluorocinnoline-3-carboxamide
PubChem CID67229734
Molecular FormulaC13H12BrFN4O
Molecular Weight339.17 g/mol
Exact Mass338.02
IUPAC Name4-amino-8-bromo-N-cyclobutyl-7-fluorocinnoline-3-carboxamide
SMILESNc1c(C(=O)NC2CCC2)nnc2c(Br)c(F)ccc12
InChIInChI=1S/C13H12BrFN4O/c14-9-8(15)5-4-7-10(16)12(19-18-11(7)9)13(20)17-6-2-1-3-6/h4-6H,1-3H2,(H2,16,18)(H,17,20)
InChIKeyYESIKRYHTIPTEZ-UHFFFAOYSA-N
XLogP2.40
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-8-bromo-N-cyclobutyl-7-fluorocinnoline-3-carboxamide 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 4-amino-8-bromo-N-cyclobutyl-7-fluorocinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-bromo-N-cyclobutyl-7-fluorocinnoline-3-carboxamide (CID 67229734) is 4-amino-8-bromo-N-cyclobutyl-7-fluorocinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-bromo-N-cyclobutyl-7-fluorocinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-bromo-N-cyclobutyl-7-fluorocinnoline-3-carboxamide is Nc1c(C(=O)NC2CCC2)nnc2c(Br)c(F)ccc12.
What is the InChIKey of 4-amino-8-bromo-N-cyclobutyl-7-fluorocinnoline-3-carboxamide?
The InChIKey is YESIKRYHTIPTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN4O/c14-9-8(15)5-4-7-10(16)12(19-18-11(7)9)13(20)17-6-2-1-3-6/h4-6H,1-3H2,(H2,16,18)(H,17,20).
What are the key properties of 4-amino-8-bromo-N-cyclobutyl-7-fluorocinnoline-3-carboxamide?
4-amino-8-bromo-N-cyclobutyl-7-fluorocinnoline-3-carboxamide has a molecular weight of 339.17 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-bromo-N-cyclobutyl-7-fluorocinnoline-3-carboxamide is sourced from PubChem (CID 67229734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).