5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine

C13H14BrClN2O — CID 55132058

IUPAC5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine
SMILESCCNc1cc(COC)nc2c(Cl)ccc(Br)c12
InChIInChI=1S/C13H14BrClN2O/c1-3-16-11-6-8(7-18-2)17-13-10(15)5-4-9(14)12(11)13/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyCUSBDSXKUCMINL-UHFFFAOYSA-N
MW329.63 g/mol
LogP4.23
Rot. Bonds4

About 5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine

5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine (PubChem CID 55132058) has the molecular formula C13H14BrClN2O and a molecular weight of 329.63 g/mol. Its IUPAC name is 5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine.

Molecular Properties

Compound Name5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine
PubChem CID55132058
Molecular FormulaC13H14BrClN2O
Molecular Weight329.63 g/mol
Exact Mass328.00
IUPAC Name5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine
SMILESCCNc1cc(COC)nc2c(Cl)ccc(Br)c12
InChIInChI=1S/C13H14BrClN2O/c1-3-16-11-6-8(7-18-2)17-13-10(15)5-4-9(14)12(11)13/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyCUSBDSXKUCMINL-UHFFFAOYSA-N
XLogP4.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine
CID 62320255
5,8-dichloro-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 62320073
8-chloro-5-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine
CID 107531260
5,8-dichloro-N,2-diethylquinolin-4-amine
CID 63480217
7-chloro-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 55062636
(5-bromo-8-chloro-2-ethylquinolin-4-yl)hydrazine
CID 62910284
8-chloro-N-ethyl-5-methoxy-2-propylquinolin-4-amine
CID 55194820
5-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine
CID 62318425
5-bromo-8-iodo-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 114261033
8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine
CID 62320624
5,7-dichloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 107578795
8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 62320077

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine?
The IUPAC name of 5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine (CID 55132058) is 5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine.
What is the SMILES notation for 5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine?
The canonical SMILES for 5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine is CCNc1cc(COC)nc2c(Cl)ccc(Br)c12.
What is the InChIKey of 5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine?
The InChIKey is CUSBDSXKUCMINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O/c1-3-16-11-6-8(7-18-2)17-13-10(15)5-4-9(14)12(11)13/h4-6H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine?
5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine has a molecular weight of 329.63 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine is sourced from PubChem (CID 55132058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).