2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine

C20H14FN3 — CID 52919256

IUPAC2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine
SMILESFc1ccccc1-c1cc(Nc2ccncc2)c2ccccc2n1
InChIInChI=1S/C20H14FN3/c21-17-7-3-1-5-15(17)19-13-20(23-14-9-11-22-12-10-14)16-6-2-4-8-18(16)24-19/h1-13H,(H,22,23,24)
InChIKeyCNFFTBOMVQEUDG-UHFFFAOYSA-N
MW315.35 g/mol
LogP5.18
Rot. Bonds3

About 2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine

2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine (PubChem CID 52919256) has the molecular formula C20H14FN3 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine
PubChem CID52919256
Molecular FormulaC20H14FN3
Molecular Weight315.35 g/mol
Exact Mass315.12
IUPAC Name2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine
SMILESFc1ccccc1-c1cc(Nc2ccncc2)c2ccccc2n1
InChIInChI=1S/C20H14FN3/c21-17-7-3-1-5-15(17)19-13-20(23-14-9-11-22-12-10-14)16-6-2-4-8-18(16)24-19/h1-13H,(H,22,23,24)
InChIKeyCNFFTBOMVQEUDG-UHFFFAOYSA-N
XLogP5.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.35
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine (CID 52919256) is 2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine is Fc1ccccc1-c1cc(Nc2ccncc2)c2ccccc2n1.
What is the InChIKey of 2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine?
The InChIKey is CNFFTBOMVQEUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3/c21-17-7-3-1-5-15(17)19-13-20(23-14-9-11-22-12-10-14)16-6-2-4-8-18(16)24-19/h1-13H,(H,22,23,24).
What are the key properties of 2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine?
2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine has a molecular weight of 315.35 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine is sourced from PubChem (CID 52919256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).