8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine

C14H17BrN2O — CID 62320624

IUPAC8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine
SMILESCCNc1cc(COC)nc2c(Br)cc(C)cc12
InChIInChI=1S/C14H17BrN2O/c1-4-16-13-7-10(8-18-3)17-14-11(13)5-9(2)6-12(14)15/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyGZYPEXRMZRBVHO-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.88
Rot. Bonds4

About 8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine

8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine (PubChem CID 62320624) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine.

Molecular Properties

Compound Name8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine
PubChem CID62320624
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine
SMILESCCNc1cc(COC)nc2c(Br)cc(C)cc12
InChIInChI=1S/C14H17BrN2O/c1-4-16-13-7-10(8-18-3)17-14-11(13)5-9(2)6-12(14)15/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyGZYPEXRMZRBVHO-UHFFFAOYSA-N
XLogP3.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine?
The IUPAC name of 8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine (CID 62320624) is 8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine.
What is the SMILES notation for 8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine?
The canonical SMILES for 8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine is CCNc1cc(COC)nc2c(Br)cc(C)cc12.
What is the InChIKey of 8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine?
The InChIKey is GZYPEXRMZRBVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-4-16-13-7-10(8-18-3)17-14-11(13)5-9(2)6-12(14)15/h5-7H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine?
8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine has a molecular weight of 309.21 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine is sourced from PubChem (CID 62320624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).