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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Related Compounds

N-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine
CID 164628039
N-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164611784
N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200
N-[2-(3-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164626479
3-[(7-pyridin-4-ylquinolin-4-yl)amino]phenol
CID 44532315
4-(2,5-difluorophenyl)-2-thiophen-3-yl-1,3-thiazole
CID 9232581
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671064
N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine
CID 39850789
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995
4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine
CID 103001760
7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine
CID 164620647

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).