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

C13H15BrN2O — CID 107628624

IUPAC7-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine
SMILESCNc1cc(COC)nc2c(C)c(Br)ccc12
InChIInChI=1S/C13H15BrN2O/c1-8-11(14)5-4-10-12(15-2)6-9(7-17-3)16-13(8)10/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyRGHMXNYOYHFCGI-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.49
Rot. Bonds3

About 7-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine

7-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine (PubChem CID 107628624) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 7-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine.

Molecular Properties

Compound Name7-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine
PubChem CID107628624
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name7-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine
SMILESCNc1cc(COC)nc2c(C)c(Br)ccc12
InChIInChI=1S/C13H15BrN2O/c1-8-11(14)5-4-10-12(15-2)6-9(7-17-3)16-13(8)10/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyRGHMXNYOYHFCGI-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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Related Compounds

7-bromo-2-(methoxymethyl)-8-methyl-N-propylquinolin-4-amine
CID 107628600
8-bromo-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 62319901
5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine
CID 62318425
7,8-dichloro-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 62320254
2,8-bis(methoxymethyl)-N-methylquinolin-4-amine
CID 62320086
5-bromo-8-iodo-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 114261033
N-ethyl-2-(methoxymethyl)-7,8-dimethylquinolin-4-amine
CID 62320256
8-methoxy-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 55062637
2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine
CID 55062350
[7-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine
CID 62318482
N,7,8-trimethyl-2-propylquinolin-4-amine
CID 63480138
5,8-dichloro-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 62320073

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine?
The IUPAC name of 7-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine (CID 107628624) is 7-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine.
What is the SMILES notation for 7-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine?
The canonical SMILES for 7-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine is CNc1cc(COC)nc2c(C)c(Br)ccc12.
What is the InChIKey of 7-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine?
The InChIKey is RGHMXNYOYHFCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-8-11(14)5-4-10-12(15-2)6-9(7-17-3)16-13(8)10/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of 7-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine?
7-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 7-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine is sourced from PubChem (CID 107628624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).