5,8-difluoro-N-methyl-2-propylquinolin-4-amine

C13H14F2N2 — CID 62203411

IUPAC5,8-difluoro-N-methyl-2-propylquinolin-4-amine
SMILESCCCc1cc(NC)c2c(F)ccc(F)c2n1
InChIInChI=1S/C13H14F2N2/c1-3-4-8-7-11(16-2)12-9(14)5-6-10(15)13(12)17-8/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyGVAJIEGKLPIOKS-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.51
Rot. Bonds3

About 5,8-difluoro-N-methyl-2-propylquinolin-4-amine

5,8-difluoro-N-methyl-2-propylquinolin-4-amine (PubChem CID 62203411) has the molecular formula C13H14F2N2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 5,8-difluoro-N-methyl-2-propylquinolin-4-amine.

Molecular Properties

Compound Name5,8-difluoro-N-methyl-2-propylquinolin-4-amine
PubChem CID62203411
Molecular FormulaC13H14F2N2
Molecular Weight236.26 g/mol
Exact Mass236.11
IUPAC Name5,8-difluoro-N-methyl-2-propylquinolin-4-amine
SMILESCCCc1cc(NC)c2c(F)ccc(F)c2n1
InChIInChI=1S/C13H14F2N2/c1-3-4-8-7-11(16-2)12-9(14)5-6-10(15)13(12)17-8/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyGVAJIEGKLPIOKS-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-N-methyl-2-propylquinolin-4-amine?
The IUPAC name of 5,8-difluoro-N-methyl-2-propylquinolin-4-amine (CID 62203411) is 5,8-difluoro-N-methyl-2-propylquinolin-4-amine.
What is the SMILES notation for 5,8-difluoro-N-methyl-2-propylquinolin-4-amine?
The canonical SMILES for 5,8-difluoro-N-methyl-2-propylquinolin-4-amine is CCCc1cc(NC)c2c(F)ccc(F)c2n1.
What is the InChIKey of 5,8-difluoro-N-methyl-2-propylquinolin-4-amine?
The InChIKey is GVAJIEGKLPIOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c1-3-4-8-7-11(16-2)12-9(14)5-6-10(15)13(12)17-8/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 5,8-difluoro-N-methyl-2-propylquinolin-4-amine?
5,8-difluoro-N-methyl-2-propylquinolin-4-amine has a molecular weight of 236.26 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-N-methyl-2-propylquinolin-4-amine is sourced from PubChem (CID 62203411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).