2-ethyl-7-fluoro-3,8-dimethylquinolin-4-amine

C13H15FN2 — CID 63554268

IUPAC2-ethyl-7-fluoro-3,8-dimethylquinolin-4-amine
SMILESCCc1nc2c(C)c(F)ccc2c(N)c1C
InChIInChI=1S/C13H15FN2/c1-4-11-8(3)12(15)9-5-6-10(14)7(2)13(9)16-11/h5-6H,4H2,1-3H3,(H2,15,16)
InChIKeyFWIJVWKCNLVQIU-UHFFFAOYSA-N
MW218.27 g/mol
LogP3.14
Rot. Bonds1

About 2-ethyl-7-fluoro-3,8-dimethylquinolin-4-amine

2-ethyl-7-fluoro-3,8-dimethylquinolin-4-amine (PubChem CID 63554268) has the molecular formula C13H15FN2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 2-ethyl-7-fluoro-3,8-dimethylquinolin-4-amine.

Molecular Properties

Compound Name2-ethyl-7-fluoro-3,8-dimethylquinolin-4-amine
PubChem CID63554268
Molecular FormulaC13H15FN2
Molecular Weight218.27 g/mol
Exact Mass218.12
IUPAC Name2-ethyl-7-fluoro-3,8-dimethylquinolin-4-amine
SMILESCCc1nc2c(C)c(F)ccc2c(N)c1C
InChIInChI=1S/C13H15FN2/c1-4-11-8(3)12(15)9-5-6-10(14)7(2)13(9)16-11/h5-6H,4H2,1-3H3,(H2,15,16)
InChIKeyFWIJVWKCNLVQIU-UHFFFAOYSA-N
XLogP3.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-fluoro-3,8-dimethylquinolin-4-amine?
The IUPAC name of 2-ethyl-7-fluoro-3,8-dimethylquinolin-4-amine (CID 63554268) is 2-ethyl-7-fluoro-3,8-dimethylquinolin-4-amine.
What is the SMILES notation for 2-ethyl-7-fluoro-3,8-dimethylquinolin-4-amine?
The canonical SMILES for 2-ethyl-7-fluoro-3,8-dimethylquinolin-4-amine is CCc1nc2c(C)c(F)ccc2c(N)c1C.
What is the InChIKey of 2-ethyl-7-fluoro-3,8-dimethylquinolin-4-amine?
The InChIKey is FWIJVWKCNLVQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-4-11-8(3)12(15)9-5-6-10(14)7(2)13(9)16-11/h5-6H,4H2,1-3H3,(H2,15,16).
What are the key properties of 2-ethyl-7-fluoro-3,8-dimethylquinolin-4-amine?
2-ethyl-7-fluoro-3,8-dimethylquinolin-4-amine has a molecular weight of 218.27 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-fluoro-3,8-dimethylquinolin-4-amine is sourced from PubChem (CID 63554268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).