5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine

C13H15BrN2O — CID 62318425

IUPAC5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine
SMILESCNc1cc(COC)nc2c(C)ccc(Br)c12
InChIInChI=1S/C13H15BrN2O/c1-8-4-5-10(14)12-11(15-2)6-9(7-17-3)16-13(8)12/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyKHVWKIBBNQIEPJ-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.49
Rot. Bonds3

About 5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine

5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine (PubChem CID 62318425) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine
PubChem CID62318425
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine
SMILESCNc1cc(COC)nc2c(C)ccc(Br)c12
InChIInChI=1S/C13H15BrN2O/c1-8-4-5-10(14)12-11(15-2)6-9(7-17-3)16-13(8)12/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyKHVWKIBBNQIEPJ-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine?
The IUPAC name of 5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine (CID 62318425) is 5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine.
What is the SMILES notation for 5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine?
The canonical SMILES for 5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine is CNc1cc(COC)nc2c(C)ccc(Br)c12.
What is the InChIKey of 5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine?
The InChIKey is KHVWKIBBNQIEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-8-4-5-10(14)12-11(15-2)6-9(7-17-3)16-13(8)12/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine?
5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine has a molecular weight of 295.18 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine is sourced from PubChem (CID 62318425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).