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

C15H18BrFN2 — CID 63480185

IUPAC5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(C)C)nc2c(F)ccc(Br)c12
InChIInChI=1S/C15H18BrFN2/c1-4-7-18-13-8-12(9(2)3)19-15-11(17)6-5-10(16)14(13)15/h5-6,8-9H,4,7H2,1-3H3,(H,18,19)
InChIKeyBYOPYZCOPFLAIJ-UHFFFAOYSA-N
MW325.23 g/mol
LogP5.08
Rot. Bonds4

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

5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine (PubChem CID 63480185) has the molecular formula C15H18BrFN2 and a molecular weight of 325.23 g/mol. Its IUPAC name is 5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine
PubChem CID63480185
Molecular FormulaC15H18BrFN2
Molecular Weight325.23 g/mol
Exact Mass324.06
IUPAC Name5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(C)C)nc2c(F)ccc(Br)c12
InChIInChI=1S/C15H18BrFN2/c1-4-7-18-13-8-12(9(2)3)19-15-11(17)6-5-10(16)14(13)15/h5-6,8-9H,4,7H2,1-3H3,(H,18,19)
InChIKeyBYOPYZCOPFLAIJ-UHFFFAOYSA-N
XLogP5.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.23
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine?
The IUPAC name of 5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine (CID 63480185) is 5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine.
What is the SMILES notation for 5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine?
The canonical SMILES for 5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine is CCCNc1cc(C(C)C)nc2c(F)ccc(Br)c12.
What is the InChIKey of 5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine?
The InChIKey is BYOPYZCOPFLAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2/c1-4-7-18-13-8-12(9(2)3)19-15-11(17)6-5-10(16)14(13)15/h5-6,8-9H,4,7H2,1-3H3,(H,18,19).
What are the key properties of 5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine?
5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine has a molecular weight of 325.23 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine is sourced from PubChem (CID 63480185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).