5-(4-methylphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine

C23H17N3OS — CID 2132949

IUPAC5-(4-methylphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine
SMILESCc1ccc(-c2csc3ncnc(Oc4cccc5ccc(C)nc45)c23)cc1
InChIInChI=1S/C23H17N3OS/c1-14-6-9-16(10-7-14)18-12-28-23-20(18)22(24-13-25-23)27-19-5-3-4-17-11-8-15(2)26-21(17)19/h3-13H,1-2H3
InChIKeyFPIUHAIIYASLPY-UHFFFAOYSA-N
MW383.48 g/mol
LogP6.32
Rot. Bonds3

About 5-(4-methylphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine

5-(4-methylphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine (PubChem CID 2132949) has the molecular formula C23H17N3OS and a molecular weight of 383.48 g/mol. Its IUPAC name is 5-(4-methylphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-methylphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine
PubChem CID2132949
Molecular FormulaC23H17N3OS
Molecular Weight383.48 g/mol
Exact Mass383.11
IUPAC Name5-(4-methylphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine
SMILESCc1ccc(-c2csc3ncnc(Oc4cccc5ccc(C)nc45)c23)cc1
InChIInChI=1S/C23H17N3OS/c1-14-6-9-16(10-7-14)18-12-28-23-20(18)22(24-13-25-23)27-19-5-3-4-17-11-8-15(2)26-21(17)19/h3-13H,1-2H3
InChIKeyFPIUHAIIYASLPY-UHFFFAOYSA-N
XLogP6.32
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-methylphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine (CID 2132949) is 5-(4-methylphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-methylphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-methylphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine is Cc1ccc(-c2csc3ncnc(Oc4cccc5ccc(C)nc45)c23)cc1.
What is the InChIKey of 5-(4-methylphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine?
The InChIKey is FPIUHAIIYASLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3OS/c1-14-6-9-16(10-7-14)18-12-28-23-20(18)22(24-13-25-23)27-19-5-3-4-17-11-8-15(2)26-21(17)19/h3-13H,1-2H3.
What are the key properties of 5-(4-methylphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine?
5-(4-methylphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine has a molecular weight of 383.48 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine is sourced from PubChem (CID 2132949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).