N-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine

C13H14F2N2 — CID 62203936

IUPACN-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine
SMILESCCNc1c(C)c(C)nc2cc(F)c(F)cc12
InChIInChI=1S/C13H14F2N2/c1-4-16-13-7(2)8(3)17-12-6-11(15)10(14)5-9(12)13/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyLMVREXIHNWYUJJ-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.56
Rot. Bonds2

About N-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine

N-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine (PubChem CID 62203936) has the molecular formula C13H14F2N2 and a molecular weight of 236.26 g/mol. Its IUPAC name is N-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine.

Molecular Properties

Compound NameN-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine
PubChem CID62203936
Molecular FormulaC13H14F2N2
Molecular Weight236.26 g/mol
Exact Mass236.11
IUPAC NameN-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine
SMILESCCNc1c(C)c(C)nc2cc(F)c(F)cc12
InChIInChI=1S/C13H14F2N2/c1-4-16-13-7(2)8(3)17-12-6-11(15)10(14)5-9(12)13/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyLMVREXIHNWYUJJ-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine?
The IUPAC name of N-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine (CID 62203936) is N-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine.
What is the SMILES notation for N-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine?
The canonical SMILES for N-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine is CCNc1c(C)c(C)nc2cc(F)c(F)cc12.
What is the InChIKey of N-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine?
The InChIKey is LMVREXIHNWYUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c1-4-16-13-7(2)8(3)17-12-6-11(15)10(14)5-9(12)13/h5-6H,4H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine?
N-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine has a molecular weight of 236.26 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine is sourced from PubChem (CID 62203936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).