6,8-dibromo-3-ethyl-5-methoxy-2-methylquinolin-4-amine

C13H14Br2N2O — CID 103416775

IUPAC6,8-dibromo-3-ethyl-5-methoxy-2-methylquinolin-4-amine
SMILESCCc1c(C)nc2c(Br)cc(Br)c(OC)c2c1N
InChIInChI=1S/C13H14Br2N2O/c1-4-7-6(2)17-12-8(14)5-9(15)13(18-3)10(12)11(7)16/h5H,4H2,1-3H3,(H2,16,17)
InChIKeySKRXIBYBFBOSNC-UHFFFAOYSA-N
MW374.08 g/mol
LogP4.22
Rot. Bonds2

About 6,8-dibromo-3-ethyl-5-methoxy-2-methylquinolin-4-amine

6,8-dibromo-3-ethyl-5-methoxy-2-methylquinolin-4-amine (PubChem CID 103416775) has the molecular formula C13H14Br2N2O and a molecular weight of 374.08 g/mol. Its IUPAC name is 6,8-dibromo-3-ethyl-5-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound Name6,8-dibromo-3-ethyl-5-methoxy-2-methylquinolin-4-amine
PubChem CID103416775
Molecular FormulaC13H14Br2N2O
Molecular Weight374.08 g/mol
Exact Mass371.95
IUPAC Name6,8-dibromo-3-ethyl-5-methoxy-2-methylquinolin-4-amine
SMILESCCc1c(C)nc2c(Br)cc(Br)c(OC)c2c1N
InChIInChI=1S/C13H14Br2N2O/c1-4-7-6(2)17-12-8(14)5-9(15)13(18-3)10(12)11(7)16/h5H,4H2,1-3H3,(H2,16,17)
InChIKeySKRXIBYBFBOSNC-UHFFFAOYSA-N
XLogP4.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dibromo-3-ethyl-5-methoxy-N,2-dimethylquinolin-4-amine
CID 103416750
3-ethyl-8-methoxy-2-methylquinolin-4-amine
CID 62203733
3-ethyl-5,7-dimethoxy-2-methylquinolin-4-amine
CID 62203590
6,8-dibromo-5-methoxy-N-methyl-2-propylquinolin-4-amine
CID 103416764
6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine
CID 62203950
5-ethyl-4-methoxy-6-methylpyridin-2-amine
CID 118491454
8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline
CID 107628279
8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine
CID 107628661
7,8-dichloro-3-ethyl-2-methylquinolin-4-amine
CID 62203586
methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate
CID 103416918
6,8-dibromo-5-methoxy-2-(methoxymethyl)-N-propylquinolin-4-amine
CID 103416760
ethane;5-ethyl-4-methoxy-6-methylpyridin-2-amine
CID 145206975

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-3-ethyl-5-methoxy-2-methylquinolin-4-amine?
The IUPAC name of 6,8-dibromo-3-ethyl-5-methoxy-2-methylquinolin-4-amine (CID 103416775) is 6,8-dibromo-3-ethyl-5-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for 6,8-dibromo-3-ethyl-5-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for 6,8-dibromo-3-ethyl-5-methoxy-2-methylquinolin-4-amine is CCc1c(C)nc2c(Br)cc(Br)c(OC)c2c1N.
What is the InChIKey of 6,8-dibromo-3-ethyl-5-methoxy-2-methylquinolin-4-amine?
The InChIKey is SKRXIBYBFBOSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O/c1-4-7-6(2)17-12-8(14)5-9(15)13(18-3)10(12)11(7)16/h5H,4H2,1-3H3,(H2,16,17).
What are the key properties of 6,8-dibromo-3-ethyl-5-methoxy-2-methylquinolin-4-amine?
6,8-dibromo-3-ethyl-5-methoxy-2-methylquinolin-4-amine has a molecular weight of 374.08 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-3-ethyl-5-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 103416775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).