5,6-dimethyl-4-quinolin-8-yloxythieno[2,3-d]pyrimidine

C17H13N3OS — CID 675353

IUPAC5,6-dimethyl-4-quinolin-8-yloxythieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(Oc3cccc4cccnc34)c2c1C
InChIInChI=1S/C17H13N3OS/c1-10-11(2)22-17-14(10)16(19-9-20-17)21-13-7-3-5-12-6-4-8-18-15(12)13/h3-9H,1-2H3
InChIKeyPIELPEGBZWUVKF-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.65
Rot. Bonds2

About 5,6-dimethyl-4-quinolin-8-yloxythieno[2,3-d]pyrimidine

5,6-dimethyl-4-quinolin-8-yloxythieno[2,3-d]pyrimidine (PubChem CID 675353) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 5,6-dimethyl-4-quinolin-8-yloxythieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-quinolin-8-yloxythieno[2,3-d]pyrimidine
PubChem CID675353
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name5,6-dimethyl-4-quinolin-8-yloxythieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(Oc3cccc4cccnc34)c2c1C
InChIInChI=1S/C17H13N3OS/c1-10-11(2)22-17-14(10)16(19-9-20-17)21-13-7-3-5-12-6-4-8-18-15(12)13/h3-9H,1-2H3
InChIKeyPIELPEGBZWUVKF-UHFFFAOYSA-N
XLogP4.65
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-quinolin-8-yloxythieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-quinolin-8-yloxythieno[2,3-d]pyrimidine (CID 675353) is 5,6-dimethyl-4-quinolin-8-yloxythieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-quinolin-8-yloxythieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-quinolin-8-yloxythieno[2,3-d]pyrimidine is Cc1sc2ncnc(Oc3cccc4cccnc34)c2c1C.
What is the InChIKey of 5,6-dimethyl-4-quinolin-8-yloxythieno[2,3-d]pyrimidine?
The InChIKey is PIELPEGBZWUVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-10-11(2)22-17-14(10)16(19-9-20-17)21-13-7-3-5-12-6-4-8-18-15(12)13/h3-9H,1-2H3.
What are the key properties of 5,6-dimethyl-4-quinolin-8-yloxythieno[2,3-d]pyrimidine?
5,6-dimethyl-4-quinolin-8-yloxythieno[2,3-d]pyrimidine has a molecular weight of 307.38 g/mol, XLogP of 4.65, 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-quinolin-8-yloxythieno[2,3-d]pyrimidine is sourced from PubChem (CID 675353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).