8-bromo-N-methyl-2-propylquinolin-4-amine

C13H15BrN2 — CID 63479624

IUPAC8-bromo-N-methyl-2-propylquinolin-4-amine
SMILESCCCc1cc(NC)c2cccc(Br)c2n1
InChIInChI=1S/C13H15BrN2/c1-3-5-9-8-12(15-2)10-6-4-7-11(14)13(10)16-9/h4,6-8H,3,5H2,1-2H3,(H,15,16)
InChIKeyBLCWVXITBQNYQY-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.99
Rot. Bonds3

About 8-bromo-N-methyl-2-propylquinolin-4-amine

8-bromo-N-methyl-2-propylquinolin-4-amine (PubChem CID 63479624) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 8-bromo-N-methyl-2-propylquinolin-4-amine.

Molecular Properties

Compound Name8-bromo-N-methyl-2-propylquinolin-4-amine
PubChem CID63479624
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name8-bromo-N-methyl-2-propylquinolin-4-amine
SMILESCCCc1cc(NC)c2cccc(Br)c2n1
InChIInChI=1S/C13H15BrN2/c1-3-5-9-8-12(15-2)10-6-4-7-11(14)13(10)16-9/h4,6-8H,3,5H2,1-2H3,(H,15,16)
InChIKeyBLCWVXITBQNYQY-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 8-bromo-N-methyl-2-propylquinolin-4-amine?
The IUPAC name of 8-bromo-N-methyl-2-propylquinolin-4-amine (CID 63479624) is 8-bromo-N-methyl-2-propylquinolin-4-amine.
What is the SMILES notation for 8-bromo-N-methyl-2-propylquinolin-4-amine?
The canonical SMILES for 8-bromo-N-methyl-2-propylquinolin-4-amine is CCCc1cc(NC)c2cccc(Br)c2n1.
What is the InChIKey of 8-bromo-N-methyl-2-propylquinolin-4-amine?
The InChIKey is BLCWVXITBQNYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-3-5-9-8-12(15-2)10-6-4-7-11(14)13(10)16-9/h4,6-8H,3,5H2,1-2H3,(H,15,16).
What are the key properties of 8-bromo-N-methyl-2-propylquinolin-4-amine?
8-bromo-N-methyl-2-propylquinolin-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 8-bromo-N-methyl-2-propylquinolin-4-amine is sourced from PubChem (CID 63479624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).