6,8-dibromo-3-tert-butyl-N-ethylquinolin-2-amine

C15H18Br2N2 — CID 63385970

IUPAC6,8-dibromo-3-tert-butyl-N-ethylquinolin-2-amine
SMILESCCNc1nc2c(Br)cc(Br)cc2cc1C(C)(C)C
InChIInChI=1S/C15H18Br2N2/c1-5-18-14-11(15(2,3)4)7-9-6-10(16)8-12(17)13(9)19-14/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyZOZGNVSEIQQJHB-UHFFFAOYSA-N
MW386.13 g/mol
LogP5.49
Rot. Bonds2

About 6,8-dibromo-3-tert-butyl-N-ethylquinolin-2-amine

6,8-dibromo-3-tert-butyl-N-ethylquinolin-2-amine (PubChem CID 63385970) has the molecular formula C15H18Br2N2 and a molecular weight of 386.13 g/mol. Its IUPAC name is 6,8-dibromo-3-tert-butyl-N-ethylquinolin-2-amine.

Molecular Properties

Compound Name6,8-dibromo-3-tert-butyl-N-ethylquinolin-2-amine
PubChem CID63385970
Molecular FormulaC15H18Br2N2
Molecular Weight386.13 g/mol
Exact Mass383.98
IUPAC Name6,8-dibromo-3-tert-butyl-N-ethylquinolin-2-amine
SMILESCCNc1nc2c(Br)cc(Br)cc2cc1C(C)(C)C
InChIInChI=1S/C15H18Br2N2/c1-5-18-14-11(15(2,3)4)7-9-6-10(16)8-12(17)13(9)19-14/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyZOZGNVSEIQQJHB-UHFFFAOYSA-N
XLogP5.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.13
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-3-tert-butyl-N-ethylquinolin-2-amine?
The IUPAC name of 6,8-dibromo-3-tert-butyl-N-ethylquinolin-2-amine (CID 63385970) is 6,8-dibromo-3-tert-butyl-N-ethylquinolin-2-amine.
What is the SMILES notation for 6,8-dibromo-3-tert-butyl-N-ethylquinolin-2-amine?
The canonical SMILES for 6,8-dibromo-3-tert-butyl-N-ethylquinolin-2-amine is CCNc1nc2c(Br)cc(Br)cc2cc1C(C)(C)C.
What is the InChIKey of 6,8-dibromo-3-tert-butyl-N-ethylquinolin-2-amine?
The InChIKey is ZOZGNVSEIQQJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2N2/c1-5-18-14-11(15(2,3)4)7-9-6-10(16)8-12(17)13(9)19-14/h6-8H,5H2,1-4H3,(H,18,19).
What are the key properties of 6,8-dibromo-3-tert-butyl-N-ethylquinolin-2-amine?
6,8-dibromo-3-tert-butyl-N-ethylquinolin-2-amine has a molecular weight of 386.13 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-3-tert-butyl-N-ethylquinolin-2-amine is sourced from PubChem (CID 63385970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).