6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine

C14H16ClFN2 — CID 55224113

IUPAC6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine
SMILESCCCc1cc2cc(Cl)cc(F)c2nc1NCC
InChIInChI=1S/C14H16ClFN2/c1-3-5-9-6-10-7-11(15)8-12(16)13(10)18-14(9)17-4-2/h6-8H,3-5H2,1-2H3,(H,17,18)
InChIKeySUWKASUWONXNSD-UHFFFAOYSA-N
MW266.75 g/mol
LogP4.41
Rot. Bonds4

About 6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine

6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine (PubChem CID 55224113) has the molecular formula C14H16ClFN2 and a molecular weight of 266.75 g/mol. Its IUPAC name is 6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine
PubChem CID55224113
Molecular FormulaC14H16ClFN2
Molecular Weight266.75 g/mol
Exact Mass266.10
IUPAC Name6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine
SMILESCCCc1cc2cc(Cl)cc(F)c2nc1NCC
InChIInChI=1S/C14H16ClFN2/c1-3-5-9-6-10-7-11(15)8-12(16)13(10)18-14(9)17-4-2/h6-8H,3-5H2,1-2H3,(H,17,18)
InChIKeySUWKASUWONXNSD-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine?
The IUPAC name of 6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine (CID 55224113) is 6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine.
What is the SMILES notation for 6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine?
The canonical SMILES for 6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine is CCCc1cc2cc(Cl)cc(F)c2nc1NCC.
What is the InChIKey of 6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine?
The InChIKey is SUWKASUWONXNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2/c1-3-5-9-6-10-7-11(15)8-12(16)13(10)18-14(9)17-4-2/h6-8H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine?
6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine has a molecular weight of 266.75 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine is sourced from PubChem (CID 55224113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).