5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine

C15H18F2N2 — CID 103587346

IUPAC5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(C)nc2c(F)cc(C)c(F)c12
InChIInChI=1S/C15H18F2N2/c1-5-6-18-14-9(3)10(4)19-15-11(16)7-8(2)13(17)12(14)15/h7H,5-6H2,1-4H3,(H,18,19)
InChIKeyWRZBTNDPZCAJMY-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.26
Rot. Bonds3

About 5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine

5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine (PubChem CID 103587346) has the molecular formula C15H18F2N2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine
PubChem CID103587346
Molecular FormulaC15H18F2N2
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(C)nc2c(F)cc(C)c(F)c12
InChIInChI=1S/C15H18F2N2/c1-5-6-18-14-9(3)10(4)19-15-11(16)7-8(2)13(17)12(14)15/h7H,5-6H2,1-4H3,(H,18,19)
InChIKeyWRZBTNDPZCAJMY-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine?
The IUPAC name of 5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine (CID 103587346) is 5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine.
What is the SMILES notation for 5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine?
The canonical SMILES for 5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine is CCCNc1c(C)c(C)nc2c(F)cc(C)c(F)c12.
What is the InChIKey of 5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine?
The InChIKey is WRZBTNDPZCAJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2/c1-5-6-18-14-9(3)10(4)19-15-11(16)7-8(2)13(17)12(14)15/h7H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine?
5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine has a molecular weight of 264.32 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine is sourced from PubChem (CID 103587346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).