5-(4-fluorophenyl)-4-quinolin-8-yloxythieno[2,3-d]pyrimidine

C21H12FN3OS — CID 3480079

IUPAC5-(4-fluorophenyl)-4-quinolin-8-yloxythieno[2,3-d]pyrimidine
SMILESFc1ccc(-c2csc3ncnc(Oc4cccc5cccnc45)c23)cc1
InChIInChI=1S/C21H12FN3OS/c22-15-8-6-13(7-9-15)16-11-27-21-18(16)20(24-12-25-21)26-17-5-1-3-14-4-2-10-23-19(14)17/h1-12H
InChIKeyLMILEPKXRMPLBX-UHFFFAOYSA-N
MW373.41 g/mol
LogP5.84
Rot. Bonds3

About 5-(4-fluorophenyl)-4-quinolin-8-yloxythieno[2,3-d]pyrimidine

5-(4-fluorophenyl)-4-quinolin-8-yloxythieno[2,3-d]pyrimidine (PubChem CID 3480079) has the molecular formula C21H12FN3OS and a molecular weight of 373.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-quinolin-8-yloxythieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-quinolin-8-yloxythieno[2,3-d]pyrimidine
PubChem CID3480079
Molecular FormulaC21H12FN3OS
Molecular Weight373.41 g/mol
Exact Mass373.07
IUPAC Name5-(4-fluorophenyl)-4-quinolin-8-yloxythieno[2,3-d]pyrimidine
SMILESFc1ccc(-c2csc3ncnc(Oc4cccc5cccnc45)c23)cc1
InChIInChI=1S/C21H12FN3OS/c22-15-8-6-13(7-9-15)16-11-27-21-18(16)20(24-12-25-21)26-17-5-1-3-14-4-2-10-23-19(14)17/h1-12H
InChIKeyLMILEPKXRMPLBX-UHFFFAOYSA-N
XLogP5.84
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-quinolin-8-yloxythieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-4-quinolin-8-yloxythieno[2,3-d]pyrimidine (CID 3480079) is 5-(4-fluorophenyl)-4-quinolin-8-yloxythieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-quinolin-8-yloxythieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-4-quinolin-8-yloxythieno[2,3-d]pyrimidine is Fc1ccc(-c2csc3ncnc(Oc4cccc5cccnc45)c23)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-quinolin-8-yloxythieno[2,3-d]pyrimidine?
The InChIKey is LMILEPKXRMPLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FN3OS/c22-15-8-6-13(7-9-15)16-11-27-21-18(16)20(24-12-25-21)26-17-5-1-3-14-4-2-10-23-19(14)17/h1-12H.
What are the key properties of 5-(4-fluorophenyl)-4-quinolin-8-yloxythieno[2,3-d]pyrimidine?
5-(4-fluorophenyl)-4-quinolin-8-yloxythieno[2,3-d]pyrimidine has a molecular weight of 373.41 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-quinolin-8-yloxythieno[2,3-d]pyrimidine is sourced from PubChem (CID 3480079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).