8-bromo-2-(methoxymethyl)-N-methylquinolin-4-amine

C12H13BrN2O — CID 62319901

IUPAC8-bromo-2-(methoxymethyl)-N-methylquinolin-4-amine
SMILESCNc1cc(COC)nc2c(Br)cccc12
InChIInChI=1S/C12H13BrN2O/c1-14-11-6-8(7-16-2)15-12-9(11)4-3-5-10(12)13/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyVKNKJDBTCYITBT-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.19
Rot. Bonds3

About 8-bromo-2-(methoxymethyl)-N-methylquinolin-4-amine

8-bromo-2-(methoxymethyl)-N-methylquinolin-4-amine (PubChem CID 62319901) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 8-bromo-2-(methoxymethyl)-N-methylquinolin-4-amine.

Molecular Properties

Compound Name8-bromo-2-(methoxymethyl)-N-methylquinolin-4-amine
PubChem CID62319901
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name8-bromo-2-(methoxymethyl)-N-methylquinolin-4-amine
SMILESCNc1cc(COC)nc2c(Br)cccc12
InChIInChI=1S/C12H13BrN2O/c1-14-11-6-8(7-16-2)15-12-9(11)4-3-5-10(12)13/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyVKNKJDBTCYITBT-UHFFFAOYSA-N
XLogP3.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(methoxymethyl)-N-methylquinolin-4-amine?
The IUPAC name of 8-bromo-2-(methoxymethyl)-N-methylquinolin-4-amine (CID 62319901) is 8-bromo-2-(methoxymethyl)-N-methylquinolin-4-amine.
What is the SMILES notation for 8-bromo-2-(methoxymethyl)-N-methylquinolin-4-amine?
The canonical SMILES for 8-bromo-2-(methoxymethyl)-N-methylquinolin-4-amine is CNc1cc(COC)nc2c(Br)cccc12.
What is the InChIKey of 8-bromo-2-(methoxymethyl)-N-methylquinolin-4-amine?
The InChIKey is VKNKJDBTCYITBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-14-11-6-8(7-16-2)15-12-9(11)4-3-5-10(12)13/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 8-bromo-2-(methoxymethyl)-N-methylquinolin-4-amine?
8-bromo-2-(methoxymethyl)-N-methylquinolin-4-amine has a molecular weight of 281.15 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(methoxymethyl)-N-methylquinolin-4-amine is sourced from PubChem (CID 62319901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).