2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]quinoline

C24H17N3S — CID 5217661

IUPAC2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]quinoline
SMILESC(=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc2ccccc2n1
InChIInChI=1S/C24H17N3S/c1-2-8-21(9-3-1)27-17-19(24(26-27)23-11-6-16-28-23)13-15-20-14-12-18-7-4-5-10-22(18)25-20/h1-17H
InChIKeyWAVUJVXXORHZAQ-UHFFFAOYSA-N
MW379.49 g/mol
LogP6.32
Rot. Bonds4

About 2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]quinoline

2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]quinoline (PubChem CID 5217661) has the molecular formula C24H17N3S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]quinoline.

Molecular Properties

Compound Name2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]quinoline
PubChem CID5217661
Molecular FormulaC24H17N3S
Molecular Weight379.49 g/mol
Exact Mass379.11
IUPAC Name2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]quinoline
SMILESC(=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc2ccccc2n1
InChIInChI=1S/C24H17N3S/c1-2-8-21(9-3-1)27-17-19(24(26-27)23-11-6-16-28-23)13-15-20-14-12-18-7-4-5-10-22(18)25-20/h1-17H
InChIKeyWAVUJVXXORHZAQ-UHFFFAOYSA-N
XLogP6.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.49
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Thienyl)quinoline
CID 10242258
1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
7-Fluoro-3-thiophen-3-yl-quinoline
CID 10398928
5-Fluoro-3-thiophen-3-yl-quinoline
CID 10421346
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
4-(4-Methyl-1-piperazinyl)-2-(2-thienyl)quinoline
CID 453076
4-(1-Phenyl-1H-pyrazol-4-YL)quinoline
CID 3525815
7-(ethylthio)-4-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 10133886
4-(3-(thiophen-2-yl)-1H-pyrazol-4-yl)quinoline
CID 11054978

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]quinoline?
The IUPAC name of 2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]quinoline (CID 5217661) is 2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]quinoline.
What is the SMILES notation for 2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]quinoline?
The canonical SMILES for 2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]quinoline is C(=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc2ccccc2n1.
What is the InChIKey of 2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]quinoline?
The InChIKey is WAVUJVXXORHZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3S/c1-2-8-21(9-3-1)27-17-19(24(26-27)23-11-6-16-28-23)13-15-20-14-12-18-7-4-5-10-22(18)25-20/h1-17H.
What are the key properties of 2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]quinoline?
2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]quinoline has a molecular weight of 379.49 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]quinoline is sourced from PubChem (CID 5217661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).