3-fluoro-2-(2-fluorophenyl)-N-pyridin-4-yl-6-thiophen-3-ylquinolin-4-amine

C24H15F2N3S — CID 11281449

IUPAC3-fluoro-2-(2-fluorophenyl)-N-pyridin-4-yl-6-thiophen-3-ylquinolin-4-amine
SMILESFc1ccccc1-c1nc2ccc(-c3ccsc3)cc2c(Nc2ccncc2)c1F
InChIInChI=1S/C24H15F2N3S/c25-20-4-2-1-3-18(20)23-22(26)24(28-17-7-10-27-11-8-17)19-13-15(5-6-21(19)29-23)16-9-12-30-14-16/h1-14H,(H,27,28,29)
InChIKeyVDRZMBALLJVFEI-UHFFFAOYSA-N
MW415.47 g/mol
LogP7.05
Rot. Bonds4

About 3-fluoro-2-(2-fluorophenyl)-N-pyridin-4-yl-6-thiophen-3-ylquinolin-4-amine

3-fluoro-2-(2-fluorophenyl)-N-pyridin-4-yl-6-thiophen-3-ylquinolin-4-amine (PubChem CID 11281449) has the molecular formula C24H15F2N3S and a molecular weight of 415.47 g/mol. Its IUPAC name is 3-fluoro-2-(2-fluorophenyl)-N-pyridin-4-yl-6-thiophen-3-ylquinolin-4-amine.

Molecular Properties

Compound Name3-fluoro-2-(2-fluorophenyl)-N-pyridin-4-yl-6-thiophen-3-ylquinolin-4-amine
PubChem CID11281449
Molecular FormulaC24H15F2N3S
Molecular Weight415.47 g/mol
Exact Mass415.10
IUPAC Name3-fluoro-2-(2-fluorophenyl)-N-pyridin-4-yl-6-thiophen-3-ylquinolin-4-amine
SMILESFc1ccccc1-c1nc2ccc(-c3ccsc3)cc2c(Nc2ccncc2)c1F
InChIInChI=1S/C24H15F2N3S/c25-20-4-2-1-3-18(20)23-22(26)24(28-17-7-10-27-11-8-17)19-13-15(5-6-21(19)29-23)16-9-12-30-14-16/h1-14H,(H,27,28,29)
InChIKeyVDRZMBALLJVFEI-UHFFFAOYSA-N
XLogP7.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-fluorophenyl)-N-pyridin-4-yl-6-thiophen-3-ylquinolin-4-amine?
The IUPAC name of 3-fluoro-2-(2-fluorophenyl)-N-pyridin-4-yl-6-thiophen-3-ylquinolin-4-amine (CID 11281449) is 3-fluoro-2-(2-fluorophenyl)-N-pyridin-4-yl-6-thiophen-3-ylquinolin-4-amine.
What is the SMILES notation for 3-fluoro-2-(2-fluorophenyl)-N-pyridin-4-yl-6-thiophen-3-ylquinolin-4-amine?
The canonical SMILES for 3-fluoro-2-(2-fluorophenyl)-N-pyridin-4-yl-6-thiophen-3-ylquinolin-4-amine is Fc1ccccc1-c1nc2ccc(-c3ccsc3)cc2c(Nc2ccncc2)c1F.
What is the InChIKey of 3-fluoro-2-(2-fluorophenyl)-N-pyridin-4-yl-6-thiophen-3-ylquinolin-4-amine?
The InChIKey is VDRZMBALLJVFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N3S/c25-20-4-2-1-3-18(20)23-22(26)24(28-17-7-10-27-11-8-17)19-13-15(5-6-21(19)29-23)16-9-12-30-14-16/h1-14H,(H,27,28,29).
What are the key properties of 3-fluoro-2-(2-fluorophenyl)-N-pyridin-4-yl-6-thiophen-3-ylquinolin-4-amine?
3-fluoro-2-(2-fluorophenyl)-N-pyridin-4-yl-6-thiophen-3-ylquinolin-4-amine has a molecular weight of 415.47 g/mol, XLogP of 7.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-fluorophenyl)-N-pyridin-4-yl-6-thiophen-3-ylquinolin-4-amine is sourced from PubChem (CID 11281449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).