5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine

C15H18BrFN2 — CID 63479847

IUPAC5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc2c(F)ccc(Br)c12
InChIInChI=1S/C15H18BrFN2/c1-5-18-11-8-12(15(2,3)4)19-14-10(17)7-6-9(16)13(11)14/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyRONXWBCSLXSWLH-UHFFFAOYSA-N
MW325.23 g/mol
LogP4.87
Rot. Bonds2

About 5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine

5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine (PubChem CID 63479847) has the molecular formula C15H18BrFN2 and a molecular weight of 325.23 g/mol. Its IUPAC name is 5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine.

Molecular Properties

Compound Name5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine
PubChem CID63479847
Molecular FormulaC15H18BrFN2
Molecular Weight325.23 g/mol
Exact Mass324.06
IUPAC Name5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc2c(F)ccc(Br)c12
InChIInChI=1S/C15H18BrFN2/c1-5-18-11-8-12(15(2,3)4)19-14-10(17)7-6-9(16)13(11)14/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyRONXWBCSLXSWLH-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine?
The IUPAC name of 5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine (CID 63479847) is 5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine.
What is the SMILES notation for 5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine?
The canonical SMILES for 5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine is CCNc1cc(C(C)(C)C)nc2c(F)ccc(Br)c12.
What is the InChIKey of 5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine?
The InChIKey is RONXWBCSLXSWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2/c1-5-18-11-8-12(15(2,3)4)19-14-10(17)7-6-9(16)13(11)14/h6-8H,5H2,1-4H3,(H,18,19).
What are the key properties of 5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine?
5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine has a molecular weight of 325.23 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine is sourced from PubChem (CID 63479847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).