4-(2-methylquinolin-8-yl)oxy-5-phenylthieno[2,3-d]pyrimidine

C22H15N3OS — CID 3843899

IUPAC4-(2-methylquinolin-8-yl)oxy-5-phenylthieno[2,3-d]pyrimidine
SMILESCc1ccc2cccc(Oc3ncnc4scc(-c5ccccc5)c34)c2n1
InChIInChI=1S/C22H15N3OS/c1-14-10-11-16-8-5-9-18(20(16)25-14)26-21-19-17(15-6-3-2-4-7-15)12-27-22(19)24-13-23-21/h2-13H,1H3
InChIKeyNORYAKJWERMAJE-UHFFFAOYSA-N
MW369.45 g/mol
LogP6.01
Rot. Bonds3

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

4-(2-methylquinolin-8-yl)oxy-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 3843899) has the molecular formula C22H15N3OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-(2-methylquinolin-8-yl)oxy-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methylquinolin-8-yl)oxy-5-phenylthieno[2,3-d]pyrimidine
PubChem CID3843899
Molecular FormulaC22H15N3OS
Molecular Weight369.45 g/mol
Exact Mass369.09
IUPAC Name4-(2-methylquinolin-8-yl)oxy-5-phenylthieno[2,3-d]pyrimidine
SMILESCc1ccc2cccc(Oc3ncnc4scc(-c5ccccc5)c34)c2n1
InChIInChI=1S/C22H15N3OS/c1-14-10-11-16-8-5-9-18(20(16)25-14)26-21-19-17(15-6-3-2-4-7-15)12-27-22(19)24-13-23-21/h2-13H,1H3
InChIKeyNORYAKJWERMAJE-UHFFFAOYSA-N
XLogP6.01
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.45
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylquinolin-8-yl)oxy-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-methylquinolin-8-yl)oxy-5-phenylthieno[2,3-d]pyrimidine (CID 3843899) is 4-(2-methylquinolin-8-yl)oxy-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-methylquinolin-8-yl)oxy-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-methylquinolin-8-yl)oxy-5-phenylthieno[2,3-d]pyrimidine is Cc1ccc2cccc(Oc3ncnc4scc(-c5ccccc5)c34)c2n1.
What is the InChIKey of 4-(2-methylquinolin-8-yl)oxy-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is NORYAKJWERMAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3OS/c1-14-10-11-16-8-5-9-18(20(16)25-14)26-21-19-17(15-6-3-2-4-7-15)12-27-22(19)24-13-23-21/h2-13H,1H3.
What are the key properties of 4-(2-methylquinolin-8-yl)oxy-5-phenylthieno[2,3-d]pyrimidine?
4-(2-methylquinolin-8-yl)oxy-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 369.45 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylquinolin-8-yl)oxy-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 3843899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).