N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine

C15H9F3N2 — CID 39850789

IUPACN-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine
SMILESFc1cc(F)cc(Nc2ccnc3ccc(F)cc23)c1
InChIInChI=1S/C15H9F3N2/c16-9-1-2-14-13(8-9)15(3-4-19-14)20-12-6-10(17)5-11(18)7-12/h1-8H,(H,19,20)
InChIKeyHXDQHAXPRFQSDH-UHFFFAOYSA-N
MW274.25 g/mol
LogP4.40
Rot. Bonds2

About N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine

N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine (PubChem CID 39850789) has the molecular formula C15H9F3N2 and a molecular weight of 274.25 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine
PubChem CID39850789
Molecular FormulaC15H9F3N2
Molecular Weight274.25 g/mol
Exact Mass274.07
IUPAC NameN-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine
SMILESFc1cc(F)cc(Nc2ccnc3ccc(F)cc23)c1
InChIInChI=1S/C15H9F3N2/c16-9-1-2-14-13(8-9)15(3-4-19-14)20-12-6-10(17)5-11(18)7-12/h1-8H,(H,19,20)
InChIKeyHXDQHAXPRFQSDH-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine?
The IUPAC name of N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine (CID 39850789) is N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine is Fc1cc(F)cc(Nc2ccnc3ccc(F)cc23)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine?
The InChIKey is HXDQHAXPRFQSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2/c16-9-1-2-14-13(8-9)15(3-4-19-14)20-12-6-10(17)5-11(18)7-12/h1-8H,(H,19,20).
What are the key properties of N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine?
N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine has a molecular weight of 274.25 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine is sourced from PubChem (CID 39850789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).