8-chloro-5-fluoro-N-propylquinolin-2-amine

C12H12ClFN2 — CID 107531497

IUPAC8-chloro-5-fluoro-N-propylquinolin-2-amine
SMILESCCCNc1ccc2c(F)ccc(Cl)c2n1
InChIInChI=1S/C12H12ClFN2/c1-2-7-15-11-6-3-8-10(14)5-4-9(13)12(8)16-11/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyFBHUTVIQGYLRNJ-UHFFFAOYSA-N
MW238.69 g/mol
LogP3.85
Rot. Bonds3

About 8-chloro-5-fluoro-N-propylquinolin-2-amine

8-chloro-5-fluoro-N-propylquinolin-2-amine (PubChem CID 107531497) has the molecular formula C12H12ClFN2 and a molecular weight of 238.69 g/mol. Its IUPAC name is 8-chloro-5-fluoro-N-propylquinolin-2-amine.

Molecular Properties

Compound Name8-chloro-5-fluoro-N-propylquinolin-2-amine
PubChem CID107531497
Molecular FormulaC12H12ClFN2
Molecular Weight238.69 g/mol
Exact Mass238.07
IUPAC Name8-chloro-5-fluoro-N-propylquinolin-2-amine
SMILESCCCNc1ccc2c(F)ccc(Cl)c2n1
InChIInChI=1S/C12H12ClFN2/c1-2-7-15-11-6-3-8-10(14)5-4-9(13)12(8)16-11/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyFBHUTVIQGYLRNJ-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-fluoro-N-propylquinolin-2-amine?
The IUPAC name of 8-chloro-5-fluoro-N-propylquinolin-2-amine (CID 107531497) is 8-chloro-5-fluoro-N-propylquinolin-2-amine.
What is the SMILES notation for 8-chloro-5-fluoro-N-propylquinolin-2-amine?
The canonical SMILES for 8-chloro-5-fluoro-N-propylquinolin-2-amine is CCCNc1ccc2c(F)ccc(Cl)c2n1.
What is the InChIKey of 8-chloro-5-fluoro-N-propylquinolin-2-amine?
The InChIKey is FBHUTVIQGYLRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2/c1-2-7-15-11-6-3-8-10(14)5-4-9(13)12(8)16-11/h3-6H,2,7H2,1H3,(H,15,16).
What are the key properties of 8-chloro-5-fluoro-N-propylquinolin-2-amine?
8-chloro-5-fluoro-N-propylquinolin-2-amine has a molecular weight of 238.69 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-fluoro-N-propylquinolin-2-amine is sourced from PubChem (CID 107531497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).