5,6-dimethyl-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine

C18H15N3OS — CID 675505

IUPAC5,6-dimethyl-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine
SMILESCc1ccc2cccc(Oc3ncnc4sc(C)c(C)c34)c2n1
InChIInChI=1S/C18H15N3OS/c1-10-7-8-13-5-4-6-14(16(13)21-10)22-17-15-11(2)12(3)23-18(15)20-9-19-17/h4-9H,1-3H3
InChIKeyTZQGBSBKHOSTFV-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.96
Rot. Bonds2

About 5,6-dimethyl-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine

5,6-dimethyl-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine (PubChem CID 675505) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 5,6-dimethyl-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine
PubChem CID675505
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name5,6-dimethyl-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine
SMILESCc1ccc2cccc(Oc3ncnc4sc(C)c(C)c34)c2n1
InChIInChI=1S/C18H15N3OS/c1-10-7-8-13-5-4-6-14(16(13)21-10)22-17-15-11(2)12(3)23-18(15)20-9-19-17/h4-9H,1-3H3
InChIKeyTZQGBSBKHOSTFV-UHFFFAOYSA-N
XLogP4.96
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,6-dimethyl-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine (CID 675505) is 5,6-dimethyl-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine is Cc1ccc2cccc(Oc3ncnc4sc(C)c(C)c34)c2n1.
What is the InChIKey of 5,6-dimethyl-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine?
The InChIKey is TZQGBSBKHOSTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-10-7-8-13-5-4-6-14(16(13)21-10)22-17-15-11(2)12(3)23-18(15)20-9-19-17/h4-9H,1-3H3.
What are the key properties of 5,6-dimethyl-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine?
5,6-dimethyl-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine has a molecular weight of 321.41 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-(2-methylquinolin-8-yl)oxythieno[2,3-d]pyrimidine is sourced from PubChem (CID 675505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).