6-bromo-N,2-diethylquinolin-4-amine

C13H15BrN2 — CID 63481642

IUPAC6-bromo-N,2-diethylquinolin-4-amine
SMILESCCNc1cc(CC)nc2ccc(Br)cc12
InChIInChI=1S/C13H15BrN2/c1-3-10-8-13(15-4-2)11-7-9(14)5-6-12(11)16-10/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyAKHIXZBPQBVTMQ-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.99
Rot. Bonds3

About 6-bromo-N,2-diethylquinolin-4-amine

6-bromo-N,2-diethylquinolin-4-amine (PubChem CID 63481642) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 6-bromo-N,2-diethylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-N,2-diethylquinolin-4-amine
PubChem CID63481642
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name6-bromo-N,2-diethylquinolin-4-amine
SMILESCCNc1cc(CC)nc2ccc(Br)cc12
InChIInChI=1S/C13H15BrN2/c1-3-10-8-13(15-4-2)11-7-9(14)5-6-12(11)16-10/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyAKHIXZBPQBVTMQ-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,2-diethylquinolin-4-amine?
The IUPAC name of 6-bromo-N,2-diethylquinolin-4-amine (CID 63481642) is 6-bromo-N,2-diethylquinolin-4-amine.
What is the SMILES notation for 6-bromo-N,2-diethylquinolin-4-amine?
The canonical SMILES for 6-bromo-N,2-diethylquinolin-4-amine is CCNc1cc(CC)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N,2-diethylquinolin-4-amine?
The InChIKey is AKHIXZBPQBVTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-3-10-8-13(15-4-2)11-7-9(14)5-6-12(11)16-10/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 6-bromo-N,2-diethylquinolin-4-amine?
6-bromo-N,2-diethylquinolin-4-amine has a molecular weight of 279.18 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,2-diethylquinolin-4-amine is sourced from PubChem (CID 63481642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).