6-bromo-2-tert-butylquinolin-4-amine

C13H15BrN2 — CID 62196775

IUPAC6-bromo-2-tert-butylquinolin-4-amine
SMILESCC(C)(C)c1cc(N)c2cc(Br)ccc2n1
InChIInChI=1S/C13H15BrN2/c1-13(2,3)12-7-10(15)9-6-8(14)4-5-11(9)16-12/h4-7H,1-3H3,(H2,15,16)
InChIKeyNBEDXNMXSDRIBA-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.88
Rot. Bonds

About 6-bromo-2-tert-butylquinolin-4-amine

6-bromo-2-tert-butylquinolin-4-amine (PubChem CID 62196775) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 6-bromo-2-tert-butylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-2-tert-butylquinolin-4-amine
PubChem CID62196775
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name6-bromo-2-tert-butylquinolin-4-amine
SMILESCC(C)(C)c1cc(N)c2cc(Br)ccc2n1
InChIInChI=1S/C13H15BrN2/c1-13(2,3)12-7-10(15)9-6-8(14)4-5-11(9)16-12/h4-7H,1-3H3,(H2,15,16)
InChIKeyNBEDXNMXSDRIBA-UHFFFAOYSA-N
XLogP3.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-2-tert-butylquinolin-4-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-2-tert-butylquinolin-4-amine?
The IUPAC name of 6-bromo-2-tert-butylquinolin-4-amine (CID 62196775) is 6-bromo-2-tert-butylquinolin-4-amine.
What is the SMILES notation for 6-bromo-2-tert-butylquinolin-4-amine?
The canonical SMILES for 6-bromo-2-tert-butylquinolin-4-amine is CC(C)(C)c1cc(N)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-tert-butylquinolin-4-amine?
The InChIKey is NBEDXNMXSDRIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-13(2,3)12-7-10(15)9-6-8(14)4-5-11(9)16-12/h4-7H,1-3H3,(H2,15,16).
What are the key properties of 6-bromo-2-tert-butylquinolin-4-amine?
6-bromo-2-tert-butylquinolin-4-amine has a molecular weight of 279.18 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-tert-butylquinolin-4-amine is sourced from PubChem (CID 62196775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).