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

C23H17N3O2S — CID 1184250

IUPAC5-(4-methoxyphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3ncnc(Oc4cccc5ccc(C)nc45)c23)cc1
InChIInChI=1S/C23H17N3O2S/c1-14-6-7-16-4-3-5-19(21(16)26-14)28-22-20-18(12-29-23(20)25-13-24-22)15-8-10-17(27-2)11-9-15/h3-13H,1-2H3
InChIKeyACAPHXHBUIMYOM-UHFFFAOYSA-N
MW399.48 g/mol
LogP6.02
Rot. Bonds4

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

5-(4-methoxyphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine (PubChem CID 1184250) has the molecular formula C23H17N3O2S and a molecular weight of 399.48 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine
PubChem CID1184250
Molecular FormulaC23H17N3O2S
Molecular Weight399.48 g/mol
Exact Mass399.10
IUPAC Name5-(4-methoxyphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3ncnc(Oc4cccc5ccc(C)nc45)c23)cc1
InChIInChI=1S/C23H17N3O2S/c1-14-6-7-16-4-3-5-19(21(16)26-14)28-22-20-18(12-29-23(20)25-13-24-22)15-8-10-17(27-2)11-9-15/h3-13H,1-2H3
InChIKeyACAPHXHBUIMYOM-UHFFFAOYSA-N
XLogP6.02
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.48
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine (CID 1184250) is 5-(4-methoxyphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine is COc1ccc(-c2csc3ncnc(Oc4cccc5ccc(C)nc45)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine?
The InChIKey is ACAPHXHBUIMYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2S/c1-14-6-7-16-4-3-5-19(21(16)26-14)28-22-20-18(12-29-23(20)25-13-24-22)15-8-10-17(27-2)11-9-15/h3-13H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine?
5-(4-methoxyphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine has a molecular weight of 399.48 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine is sourced from PubChem (CID 1184250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).