4-(5,7-dibromoquinolin-8-yl)oxy-N,N-diethyl-3-methylbutan-1-amine

C18H24Br2N2O — CID 71517724

IUPAC4-(5,7-dibromoquinolin-8-yl)oxy-N,N-diethyl-3-methylbutan-1-amine
SMILESCCN(CC)CCC(C)COc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C18H24Br2N2O/c1-4-22(5-2)10-8-13(3)12-23-18-16(20)11-15(19)14-7-6-9-21-17(14)18/h6-7,9,11,13H,4-5,8,10,12H2,1-3H3
InChIKeyXVMVFILVUZWRFV-UHFFFAOYSA-N
MW444.21 g/mol
LogP5.51
Rot. Bonds8

About 4-(5,7-dibromoquinolin-8-yl)oxy-N,N-diethyl-3-methylbutan-1-amine

4-(5,7-dibromoquinolin-8-yl)oxy-N,N-diethyl-3-methylbutan-1-amine (PubChem CID 71517724) has the molecular formula C18H24Br2N2O and a molecular weight of 444.21 g/mol. Its IUPAC name is 4-(5,7-dibromoquinolin-8-yl)oxy-N,N-diethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-(5,7-dibromoquinolin-8-yl)oxy-N,N-diethyl-3-methylbutan-1-amine
PubChem CID71517724
Molecular FormulaC18H24Br2N2O
Molecular Weight444.21 g/mol
Exact Mass442.03
IUPAC Name4-(5,7-dibromoquinolin-8-yl)oxy-N,N-diethyl-3-methylbutan-1-amine
SMILESCCN(CC)CCC(C)COc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C18H24Br2N2O/c1-4-22(5-2)10-8-13(3)12-23-18-16(20)11-15(19)14-7-6-9-21-17(14)18/h6-7,9,11,13H,4-5,8,10,12H2,1-3H3
InChIKeyXVMVFILVUZWRFV-UHFFFAOYSA-N
XLogP5.51
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.21
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dibromoquinolin-8-yl)oxy-N,N-diethyl-3-methylbutan-1-amine?
The IUPAC name of 4-(5,7-dibromoquinolin-8-yl)oxy-N,N-diethyl-3-methylbutan-1-amine (CID 71517724) is 4-(5,7-dibromoquinolin-8-yl)oxy-N,N-diethyl-3-methylbutan-1-amine.
What is the SMILES notation for 4-(5,7-dibromoquinolin-8-yl)oxy-N,N-diethyl-3-methylbutan-1-amine?
The canonical SMILES for 4-(5,7-dibromoquinolin-8-yl)oxy-N,N-diethyl-3-methylbutan-1-amine is CCN(CC)CCC(C)COc1c(Br)cc(Br)c2cccnc12.
What is the InChIKey of 4-(5,7-dibromoquinolin-8-yl)oxy-N,N-diethyl-3-methylbutan-1-amine?
The InChIKey is XVMVFILVUZWRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Br2N2O/c1-4-22(5-2)10-8-13(3)12-23-18-16(20)11-15(19)14-7-6-9-21-17(14)18/h6-7,9,11,13H,4-5,8,10,12H2,1-3H3.
What are the key properties of 4-(5,7-dibromoquinolin-8-yl)oxy-N,N-diethyl-3-methylbutan-1-amine?
4-(5,7-dibromoquinolin-8-yl)oxy-N,N-diethyl-3-methylbutan-1-amine has a molecular weight of 444.21 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dibromoquinolin-8-yl)oxy-N,N-diethyl-3-methylbutan-1-amine is sourced from PubChem (CID 71517724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).