8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine

C16H20BrFN2 — CID 107629002

IUPAC8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1c(C(C)C)c(C)nc2c(Br)ccc(F)c12
InChIInChI=1S/C16H20BrFN2/c1-5-8-19-16-13(9(2)3)10(4)20-15-11(17)6-7-12(18)14(15)16/h6-7,9H,5,8H2,1-4H3,(H,19,20)
InChIKeyXKWIDIHZNFGOOV-UHFFFAOYSA-N
MW339.25 g/mol
LogP5.39
Rot. Bonds4

About 8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine

8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine (PubChem CID 107629002) has the molecular formula C16H20BrFN2 and a molecular weight of 339.25 g/mol. Its IUPAC name is 8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
PubChem CID107629002
Molecular FormulaC16H20BrFN2
Molecular Weight339.25 g/mol
Exact Mass338.08
IUPAC Name8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1c(C(C)C)c(C)nc2c(Br)ccc(F)c12
InChIInChI=1S/C16H20BrFN2/c1-5-8-19-16-13(9(2)3)10(4)20-15-11(17)6-7-12(18)14(15)16/h6-7,9H,5,8H2,1-4H3,(H,19,20)
InChIKeyXKWIDIHZNFGOOV-UHFFFAOYSA-N
XLogP5.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.25
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine?
The IUPAC name of 8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine (CID 107629002) is 8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine.
What is the SMILES notation for 8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine?
The canonical SMILES for 8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine is CCCNc1c(C(C)C)c(C)nc2c(Br)ccc(F)c12.
What is the InChIKey of 8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine?
The InChIKey is XKWIDIHZNFGOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFN2/c1-5-8-19-16-13(9(2)3)10(4)20-15-11(17)6-7-12(18)14(15)16/h6-7,9H,5,8H2,1-4H3,(H,19,20).
What are the key properties of 8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine?
8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine has a molecular weight of 339.25 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine is sourced from PubChem (CID 107629002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).