5-bromo-8-methoxy-3-propan-2-ylquinolin-2-amine

C13H15BrN2O — CID 63232490

IUPAC5-bromo-8-methoxy-3-propan-2-ylquinolin-2-amine
SMILESCOc1ccc(Br)c2cc(C(C)C)c(N)nc12
InChIInChI=1S/C13H15BrN2O/c1-7(2)8-6-9-10(14)4-5-11(17-3)12(9)16-13(8)15/h4-7H,1-3H3,(H2,15,16)
InChIKeyDMUHSMGYWSOMHG-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.71
Rot. Bonds2

About 5-bromo-8-methoxy-3-propan-2-ylquinolin-2-amine

5-bromo-8-methoxy-3-propan-2-ylquinolin-2-amine (PubChem CID 63232490) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-8-methoxy-3-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name5-bromo-8-methoxy-3-propan-2-ylquinolin-2-amine
PubChem CID63232490
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name5-bromo-8-methoxy-3-propan-2-ylquinolin-2-amine
SMILESCOc1ccc(Br)c2cc(C(C)C)c(N)nc12
InChIInChI=1S/C13H15BrN2O/c1-7(2)8-6-9-10(14)4-5-11(17-3)12(9)16-13(8)15/h4-7H,1-3H3,(H2,15,16)
InChIKeyDMUHSMGYWSOMHG-UHFFFAOYSA-N
XLogP3.71
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-methoxy-3-propan-2-ylquinolin-2-amine?
The IUPAC name of 5-bromo-8-methoxy-3-propan-2-ylquinolin-2-amine (CID 63232490) is 5-bromo-8-methoxy-3-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 5-bromo-8-methoxy-3-propan-2-ylquinolin-2-amine?
The canonical SMILES for 5-bromo-8-methoxy-3-propan-2-ylquinolin-2-amine is COc1ccc(Br)c2cc(C(C)C)c(N)nc12.
What is the InChIKey of 5-bromo-8-methoxy-3-propan-2-ylquinolin-2-amine?
The InChIKey is DMUHSMGYWSOMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-7(2)8-6-9-10(14)4-5-11(17-3)12(9)16-13(8)15/h4-7H,1-3H3,(H2,15,16).
What are the key properties of 5-bromo-8-methoxy-3-propan-2-ylquinolin-2-amine?
5-bromo-8-methoxy-3-propan-2-ylquinolin-2-amine has a molecular weight of 295.18 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-methoxy-3-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 63232490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).