4-(2-methylquinolin-8-yl)oxy-6-phenylthieno[2,3-d]pyrimidine

C22H15N3OS — CID 985281

IUPAC4-(2-methylquinolin-8-yl)oxy-6-phenylthieno[2,3-d]pyrimidine
SMILESCc1ccc2cccc(Oc3ncnc4sc(-c5ccccc5)cc34)c2n1
InChIInChI=1S/C22H15N3OS/c1-14-10-11-16-8-5-9-18(20(16)25-14)26-21-17-12-19(15-6-3-2-4-7-15)27-22(17)24-13-23-21/h2-13H,1H3
InChIKeyPQYSVAGNESNNJD-UHFFFAOYSA-N
MW369.45 g/mol
LogP6.01
Rot. Bonds3

About 4-(2-methylquinolin-8-yl)oxy-6-phenylthieno[2,3-d]pyrimidine

4-(2-methylquinolin-8-yl)oxy-6-phenylthieno[2,3-d]pyrimidine (PubChem CID 985281) has the molecular formula C22H15N3OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-(2-methylquinolin-8-yl)oxy-6-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methylquinolin-8-yl)oxy-6-phenylthieno[2,3-d]pyrimidine
PubChem CID985281
Molecular FormulaC22H15N3OS
Molecular Weight369.45 g/mol
Exact Mass369.09
IUPAC Name4-(2-methylquinolin-8-yl)oxy-6-phenylthieno[2,3-d]pyrimidine
SMILESCc1ccc2cccc(Oc3ncnc4sc(-c5ccccc5)cc34)c2n1
InChIInChI=1S/C22H15N3OS/c1-14-10-11-16-8-5-9-18(20(16)25-14)26-21-17-12-19(15-6-3-2-4-7-15)27-22(17)24-13-23-21/h2-13H,1H3
InChIKeyPQYSVAGNESNNJD-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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Related Compounds

4-phenoxy-6-phenylthieno[2,3-d]pyrimidine
CID 2408628
4-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 58810662
4-(2-methoxyphenoxy)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19142034
5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9251131
2-methyl-8-pyridin-2-yloxyquinoline
CID 23934989
2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline
CID 23479881
6-phenylthieno[2,3-d]pyrimidine-4-thiolate
CID 7059157
3,4-bis[(2-methylquinolin-8-yl)oxy]-2,6-diphenylphenol
CID 174989635
N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4882445
8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline
CID 79632871
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19141927
6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine
CID 23493985

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylquinolin-8-yl)oxy-6-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-methylquinolin-8-yl)oxy-6-phenylthieno[2,3-d]pyrimidine (CID 985281) is 4-(2-methylquinolin-8-yl)oxy-6-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-methylquinolin-8-yl)oxy-6-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-methylquinolin-8-yl)oxy-6-phenylthieno[2,3-d]pyrimidine is Cc1ccc2cccc(Oc3ncnc4sc(-c5ccccc5)cc34)c2n1.
What is the InChIKey of 4-(2-methylquinolin-8-yl)oxy-6-phenylthieno[2,3-d]pyrimidine?
The InChIKey is PQYSVAGNESNNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3OS/c1-14-10-11-16-8-5-9-18(20(16)25-14)26-21-17-12-19(15-6-3-2-4-7-15)27-22(17)24-13-23-21/h2-13H,1H3.
What are the key properties of 4-(2-methylquinolin-8-yl)oxy-6-phenylthieno[2,3-d]pyrimidine?
4-(2-methylquinolin-8-yl)oxy-6-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-6-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 985281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).