8-bromo-3-tert-butyl-6-fluoro-N-methylquinolin-2-amine

C14H16BrFN2 — CID 55183109

IUPAC8-bromo-3-tert-butyl-6-fluoro-N-methylquinolin-2-amine
SMILESCNc1nc2c(Br)cc(F)cc2cc1C(C)(C)C
InChIInChI=1S/C14H16BrFN2/c1-14(2,3)10-6-8-5-9(16)7-11(15)12(8)18-13(10)17-4/h5-7H,1-4H3,(H,17,18)
InChIKeyWGYCDIQEWISJMS-UHFFFAOYSA-N
MW311.20 g/mol
LogP4.48
Rot. Bonds1

About 8-bromo-3-tert-butyl-6-fluoro-N-methylquinolin-2-amine

8-bromo-3-tert-butyl-6-fluoro-N-methylquinolin-2-amine (PubChem CID 55183109) has the molecular formula C14H16BrFN2 and a molecular weight of 311.20 g/mol. Its IUPAC name is 8-bromo-3-tert-butyl-6-fluoro-N-methylquinolin-2-amine.

Molecular Properties

Compound Name8-bromo-3-tert-butyl-6-fluoro-N-methylquinolin-2-amine
PubChem CID55183109
Molecular FormulaC14H16BrFN2
Molecular Weight311.20 g/mol
Exact Mass310.05
IUPAC Name8-bromo-3-tert-butyl-6-fluoro-N-methylquinolin-2-amine
SMILESCNc1nc2c(Br)cc(F)cc2cc1C(C)(C)C
InChIInChI=1S/C14H16BrFN2/c1-14(2,3)10-6-8-5-9(16)7-11(15)12(8)18-13(10)17-4/h5-7H,1-4H3,(H,17,18)
InChIKeyWGYCDIQEWISJMS-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-tert-butyl-6-fluoro-N-methylquinolin-2-amine?
The IUPAC name of 8-bromo-3-tert-butyl-6-fluoro-N-methylquinolin-2-amine (CID 55183109) is 8-bromo-3-tert-butyl-6-fluoro-N-methylquinolin-2-amine.
What is the SMILES notation for 8-bromo-3-tert-butyl-6-fluoro-N-methylquinolin-2-amine?
The canonical SMILES for 8-bromo-3-tert-butyl-6-fluoro-N-methylquinolin-2-amine is CNc1nc2c(Br)cc(F)cc2cc1C(C)(C)C.
What is the InChIKey of 8-bromo-3-tert-butyl-6-fluoro-N-methylquinolin-2-amine?
The InChIKey is WGYCDIQEWISJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2/c1-14(2,3)10-6-8-5-9(16)7-11(15)12(8)18-13(10)17-4/h5-7H,1-4H3,(H,17,18).
What are the key properties of 8-bromo-3-tert-butyl-6-fluoro-N-methylquinolin-2-amine?
8-bromo-3-tert-butyl-6-fluoro-N-methylquinolin-2-amine has a molecular weight of 311.20 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-tert-butyl-6-fluoro-N-methylquinolin-2-amine is sourced from PubChem (CID 55183109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).