4-N-(2,3,5-trifluorophenyl)quinoline-3,4-diamine

C15H10F3N3 — CID 103963244

IUPAC4-N-(2,3,5-trifluorophenyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1Nc1cc(F)cc(F)c1F
InChIInChI=1S/C15H10F3N3/c16-8-5-10(17)14(18)13(6-8)21-15-9-3-1-2-4-12(9)20-7-11(15)19/h1-7H,19H2,(H,20,21)
InChIKeyGEUWYKKUDKEUHW-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.98
Rot. Bonds2

About 4-N-(2,3,5-trifluorophenyl)quinoline-3,4-diamine

4-N-(2,3,5-trifluorophenyl)quinoline-3,4-diamine (PubChem CID 103963244) has the molecular formula C15H10F3N3 and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-N-(2,3,5-trifluorophenyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(2,3,5-trifluorophenyl)quinoline-3,4-diamine
PubChem CID103963244
Molecular FormulaC15H10F3N3
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name4-N-(2,3,5-trifluorophenyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1Nc1cc(F)cc(F)c1F
InChIInChI=1S/C15H10F3N3/c16-8-5-10(17)14(18)13(6-8)21-15-9-3-1-2-4-12(9)20-7-11(15)19/h1-7H,19H2,(H,20,21)
InChIKeyGEUWYKKUDKEUHW-UHFFFAOYSA-N
XLogP3.98
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3,5-trifluorophenyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(2,3,5-trifluorophenyl)quinoline-3,4-diamine (CID 103963244) is 4-N-(2,3,5-trifluorophenyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(2,3,5-trifluorophenyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(2,3,5-trifluorophenyl)quinoline-3,4-diamine is Nc1cnc2ccccc2c1Nc1cc(F)cc(F)c1F.
What is the InChIKey of 4-N-(2,3,5-trifluorophenyl)quinoline-3,4-diamine?
The InChIKey is GEUWYKKUDKEUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3/c16-8-5-10(17)14(18)13(6-8)21-15-9-3-1-2-4-12(9)20-7-11(15)19/h1-7H,19H2,(H,20,21).
What are the key properties of 4-N-(2,3,5-trifluorophenyl)quinoline-3,4-diamine?
4-N-(2,3,5-trifluorophenyl)quinoline-3,4-diamine has a molecular weight of 289.26 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3,5-trifluorophenyl)quinoline-3,4-diamine is sourced from PubChem (CID 103963244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).