5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine

C13H14ClFN2 — CID 107370549

IUPAC5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine
SMILESCCNc1c(C)c(C)nc2cc(F)cc(Cl)c12
InChIInChI=1S/C13H14ClFN2/c1-4-16-13-7(2)8(3)17-11-6-9(15)5-10(14)12(11)13/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyDVKAHNHGMXTRCK-UHFFFAOYSA-N
MW252.72 g/mol
LogP4.08
Rot. Bonds2

About 5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine

5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine (PubChem CID 107370549) has the molecular formula C13H14ClFN2 and a molecular weight of 252.72 g/mol. Its IUPAC name is 5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine
PubChem CID107370549
Molecular FormulaC13H14ClFN2
Molecular Weight252.72 g/mol
Exact Mass252.08
IUPAC Name5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine
SMILESCCNc1c(C)c(C)nc2cc(F)cc(Cl)c12
InChIInChI=1S/C13H14ClFN2/c1-4-16-13-7(2)8(3)17-11-6-9(15)5-10(14)12(11)13/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyDVKAHNHGMXTRCK-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine?
The IUPAC name of 5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine (CID 107370549) is 5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine.
What is the SMILES notation for 5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine?
The canonical SMILES for 5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine is CCNc1c(C)c(C)nc2cc(F)cc(Cl)c12.
What is the InChIKey of 5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine?
The InChIKey is DVKAHNHGMXTRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2/c1-4-16-13-7(2)8(3)17-11-6-9(15)5-10(14)12(11)13/h5-6H,4H2,1-3H3,(H,16,17).
What are the key properties of 5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine?
5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine has a molecular weight of 252.72 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine is sourced from PubChem (CID 107370549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).