6-bromo-7-fluoro-3-propan-2-ylquinolin-2-amine

C12H12BrFN2 — CID 103997013

IUPAC6-bromo-7-fluoro-3-propan-2-ylquinolin-2-amine
SMILESCC(C)c1cc2cc(Br)c(F)cc2nc1N
InChIInChI=1S/C12H12BrFN2/c1-6(2)8-3-7-4-9(13)10(14)5-11(7)16-12(8)15/h3-6H,1-2H3,(H2,15,16)
InChIKeyFKVSQBFBQKCSRQ-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.84
Rot. Bonds1

About 6-bromo-7-fluoro-3-propan-2-ylquinolin-2-amine

6-bromo-7-fluoro-3-propan-2-ylquinolin-2-amine (PubChem CID 103997013) has the molecular formula C12H12BrFN2 and a molecular weight of 283.14 g/mol. Its IUPAC name is 6-bromo-7-fluoro-3-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name6-bromo-7-fluoro-3-propan-2-ylquinolin-2-amine
PubChem CID103997013
Molecular FormulaC12H12BrFN2
Molecular Weight283.14 g/mol
Exact Mass282.02
IUPAC Name6-bromo-7-fluoro-3-propan-2-ylquinolin-2-amine
SMILESCC(C)c1cc2cc(Br)c(F)cc2nc1N
InChIInChI=1S/C12H12BrFN2/c1-6(2)8-3-7-4-9(13)10(14)5-11(7)16-12(8)15/h3-6H,1-2H3,(H2,15,16)
InChIKeyFKVSQBFBQKCSRQ-UHFFFAOYSA-N
XLogP3.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-7-fluoro-3-propan-2-ylquinolin-2-amine 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 6-bromo-7-fluoro-3-propan-2-ylquinolin-2-amine?
The IUPAC name of 6-bromo-7-fluoro-3-propan-2-ylquinolin-2-amine (CID 103997013) is 6-bromo-7-fluoro-3-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 6-bromo-7-fluoro-3-propan-2-ylquinolin-2-amine?
The canonical SMILES for 6-bromo-7-fluoro-3-propan-2-ylquinolin-2-amine is CC(C)c1cc2cc(Br)c(F)cc2nc1N.
What is the InChIKey of 6-bromo-7-fluoro-3-propan-2-ylquinolin-2-amine?
The InChIKey is FKVSQBFBQKCSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2/c1-6(2)8-3-7-4-9(13)10(14)5-11(7)16-12(8)15/h3-6H,1-2H3,(H2,15,16).
What are the key properties of 6-bromo-7-fluoro-3-propan-2-ylquinolin-2-amine?
6-bromo-7-fluoro-3-propan-2-ylquinolin-2-amine has a molecular weight of 283.14 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-3-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 103997013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).