6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine

C12H12ClFN2 — CID 62203950

IUPAC6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine
SMILESCCc1c(C)nc2c(F)cc(Cl)cc2c1N
InChIInChI=1S/C12H12ClFN2/c1-3-8-6(2)16-12-9(11(8)15)4-7(13)5-10(12)14/h4-5H,3H2,1-2H3,(H2,15,16)
InChIKeyWCDAORPOTSQSPV-UHFFFAOYSA-N
MW238.69 g/mol
LogP3.48
Rot. Bonds1

About 6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine

6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine (PubChem CID 62203950) has the molecular formula C12H12ClFN2 and a molecular weight of 238.69 g/mol. Its IUPAC name is 6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine.

Molecular Properties

Compound Name6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine
PubChem CID62203950
Molecular FormulaC12H12ClFN2
Molecular Weight238.69 g/mol
Exact Mass238.07
IUPAC Name6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine
SMILESCCc1c(C)nc2c(F)cc(Cl)cc2c1N
InChIInChI=1S/C12H12ClFN2/c1-3-8-6(2)16-12-9(11(8)15)4-7(13)5-10(12)14/h4-5H,3H2,1-2H3,(H2,15,16)
InChIKeyWCDAORPOTSQSPV-UHFFFAOYSA-N
XLogP3.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine?
The IUPAC name of 6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine (CID 62203950) is 6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine.
What is the SMILES notation for 6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine?
The canonical SMILES for 6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine is CCc1c(C)nc2c(F)cc(Cl)cc2c1N.
What is the InChIKey of 6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine?
The InChIKey is WCDAORPOTSQSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2/c1-3-8-6(2)16-12-9(11(8)15)4-7(13)5-10(12)14/h4-5H,3H2,1-2H3,(H2,15,16).
What are the key properties of 6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine?
6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine has a molecular weight of 238.69 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine is sourced from PubChem (CID 62203950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).