N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine

C24H15F2N3S — CID 164608888

IUPACN-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine
SMILESFc1ccc(F)c(-c2cc(Nc3ccnc4cc(-c5ccsc5)ccc34)ccn2)c1
InChIInChI=1S/C24H15F2N3S/c25-17-2-4-21(26)20(12-17)24-13-18(5-8-27-24)29-22-6-9-28-23-11-15(1-3-19(22)23)16-7-10-30-14-16/h1-14H,(H,27,28,29)
InChIKeyWWTRLLIXWASYDX-UHFFFAOYSA-N
MW415.47 g/mol
LogP7.05
Rot. Bonds4

About N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine

N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine (PubChem CID 164608888) has the molecular formula C24H15F2N3S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine
PubChem CID164608888
Molecular FormulaC24H15F2N3S
Molecular Weight415.47 g/mol
Exact Mass415.10
IUPAC NameN-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine
SMILESFc1ccc(F)c(-c2cc(Nc3ccnc4cc(-c5ccsc5)ccc34)ccn2)c1
InChIInChI=1S/C24H15F2N3S/c25-17-2-4-21(26)20(12-17)24-13-18(5-8-27-24)29-22-6-9-28-23-11-15(1-3-19(22)23)16-7-10-30-14-16/h1-14H,(H,27,28,29)
InChIKeyWWTRLLIXWASYDX-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 N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine?
The IUPAC name of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine (CID 164608888) is N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine is Fc1ccc(F)c(-c2cc(Nc3ccnc4cc(-c5ccsc5)ccc34)ccn2)c1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine?
The InChIKey is WWTRLLIXWASYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N3S/c25-17-2-4-21(26)20(12-17)24-13-18(5-8-27-24)29-22-6-9-28-23-11-15(1-3-19(22)23)16-7-10-30-14-16/h1-14H,(H,27,28,29).
What are the key properties of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine?
N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-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 N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine is sourced from PubChem (CID 164608888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).