6-bromo-8-methyl-3-propylquinolin-2-amine

C13H15BrN2 — CID 63232065

IUPAC6-bromo-8-methyl-3-propylquinolin-2-amine
SMILESCCCc1cc2cc(Br)cc(C)c2nc1N
InChIInChI=1S/C13H15BrN2/c1-3-4-9-6-10-7-11(14)5-8(2)12(10)16-13(9)15/h5-7H,3-4H2,1-2H3,(H2,15,16)
InChIKeyQBZBJKYHTYJVTA-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.84
Rot. Bonds2

About 6-bromo-8-methyl-3-propylquinolin-2-amine

6-bromo-8-methyl-3-propylquinolin-2-amine (PubChem CID 63232065) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 6-bromo-8-methyl-3-propylquinolin-2-amine.

Molecular Properties

Compound Name6-bromo-8-methyl-3-propylquinolin-2-amine
PubChem CID63232065
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name6-bromo-8-methyl-3-propylquinolin-2-amine
SMILESCCCc1cc2cc(Br)cc(C)c2nc1N
InChIInChI=1S/C13H15BrN2/c1-3-4-9-6-10-7-11(14)5-8(2)12(10)16-13(9)15/h5-7H,3-4H2,1-2H3,(H2,15,16)
InChIKeyQBZBJKYHTYJVTA-UHFFFAOYSA-N
XLogP3.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-3-propylquinolin-2-amine?
The IUPAC name of 6-bromo-8-methyl-3-propylquinolin-2-amine (CID 63232065) is 6-bromo-8-methyl-3-propylquinolin-2-amine.
What is the SMILES notation for 6-bromo-8-methyl-3-propylquinolin-2-amine?
The canonical SMILES for 6-bromo-8-methyl-3-propylquinolin-2-amine is CCCc1cc2cc(Br)cc(C)c2nc1N.
What is the InChIKey of 6-bromo-8-methyl-3-propylquinolin-2-amine?
The InChIKey is QBZBJKYHTYJVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-3-4-9-6-10-7-11(14)5-8(2)12(10)16-13(9)15/h5-7H,3-4H2,1-2H3,(H2,15,16).
What are the key properties of 6-bromo-8-methyl-3-propylquinolin-2-amine?
6-bromo-8-methyl-3-propylquinolin-2-amine has a molecular weight of 279.18 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-3-propylquinolin-2-amine is sourced from PubChem (CID 63232065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).