7-bromo-2-(methoxymethyl)-8-methyl-N-propylquinolin-4-amine

C15H19BrN2O — CID 107628600

IUPAC7-bromo-2-(methoxymethyl)-8-methyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(COC)nc2c(C)c(Br)ccc12
InChIInChI=1S/C15H19BrN2O/c1-4-7-17-14-8-11(9-19-3)18-15-10(2)13(16)6-5-12(14)15/h5-6,8H,4,7,9H2,1-3H3,(H,17,18)
InChIKeyZNHZHBNWUFFALV-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.27
Rot. Bonds5

About 7-bromo-2-(methoxymethyl)-8-methyl-N-propylquinolin-4-amine

7-bromo-2-(methoxymethyl)-8-methyl-N-propylquinolin-4-amine (PubChem CID 107628600) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 7-bromo-2-(methoxymethyl)-8-methyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name7-bromo-2-(methoxymethyl)-8-methyl-N-propylquinolin-4-amine
PubChem CID107628600
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name7-bromo-2-(methoxymethyl)-8-methyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(COC)nc2c(C)c(Br)ccc12
InChIInChI=1S/C15H19BrN2O/c1-4-7-17-14-8-11(9-19-3)18-15-10(2)13(16)6-5-12(14)15/h5-6,8H,4,7,9H2,1-3H3,(H,17,18)
InChIKeyZNHZHBNWUFFALV-UHFFFAOYSA-N
XLogP4.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methoxymethyl)-7,8-dimethyl-N-propylquinolin-4-amine
CID 55062350
7-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine
CID 107628624
N-ethyl-2-(methoxymethyl)-7,8-dimethylquinolin-4-amine
CID 62320256
6,8-dibromo-5-methoxy-2-(methoxymethyl)-N-propylquinolin-4-amine
CID 103416760
6-bromo-8-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine
CID 62319897
6,8-dichloro-2-(methoxymethyl)-N-propylquinolin-4-amine
CID 55062733
7-bromo-2-cyclopentyl-8-methyl-N-propylquinolin-4-amine
CID 107628646
8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine
CID 62320624
6-ethyl-2-(methoxymethyl)-N-propylquinolin-4-amine
CID 55062783
[7-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine
CID 62318482
5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine
CID 62318425
7-chloro-2-(methoxymethyl)-6-methyl-N-propylquinolin-4-amine
CID 104722052

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(methoxymethyl)-8-methyl-N-propylquinolin-4-amine?
The IUPAC name of 7-bromo-2-(methoxymethyl)-8-methyl-N-propylquinolin-4-amine (CID 107628600) is 7-bromo-2-(methoxymethyl)-8-methyl-N-propylquinolin-4-amine.
What is the SMILES notation for 7-bromo-2-(methoxymethyl)-8-methyl-N-propylquinolin-4-amine?
The canonical SMILES for 7-bromo-2-(methoxymethyl)-8-methyl-N-propylquinolin-4-amine is CCCNc1cc(COC)nc2c(C)c(Br)ccc12.
What is the InChIKey of 7-bromo-2-(methoxymethyl)-8-methyl-N-propylquinolin-4-amine?
The InChIKey is ZNHZHBNWUFFALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-4-7-17-14-8-11(9-19-3)18-15-10(2)13(16)6-5-12(14)15/h5-6,8H,4,7,9H2,1-3H3,(H,17,18).
What are the key properties of 7-bromo-2-(methoxymethyl)-8-methyl-N-propylquinolin-4-amine?
7-bromo-2-(methoxymethyl)-8-methyl-N-propylquinolin-4-amine has a molecular weight of 323.23 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(methoxymethyl)-8-methyl-N-propylquinolin-4-amine is sourced from PubChem (CID 107628600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).