6-methoxy-2-phenylthieno[3,2-c]isoquinoline

C18H13NOS — CID 162412672

IUPAC6-methoxy-2-phenylthieno[3,2-c]isoquinoline
SMILESCOc1cccc2c1cnc1cc(-c3ccccc3)sc12
InChIInChI=1S/C18H13NOS/c1-20-16-9-5-8-13-14(16)11-19-15-10-17(21-18(13)15)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyHMPAVWOXJMOMFF-UHFFFAOYSA-N
MW291.38 g/mol
LogP5.13
Rot. Bonds2

About 6-methoxy-2-phenylthieno[3,2-c]isoquinoline

6-methoxy-2-phenylthieno[3,2-c]isoquinoline (PubChem CID 162412672) has the molecular formula C18H13NOS and a molecular weight of 291.38 g/mol. Its IUPAC name is 6-methoxy-2-phenylthieno[3,2-c]isoquinoline.

Molecular Properties

Compound Name6-methoxy-2-phenylthieno[3,2-c]isoquinoline
PubChem CID162412672
Molecular FormulaC18H13NOS
Molecular Weight291.38 g/mol
Exact Mass291.07
IUPAC Name6-methoxy-2-phenylthieno[3,2-c]isoquinoline
SMILESCOc1cccc2c1cnc1cc(-c3ccccc3)sc12
InChIInChI=1S/C18H13NOS/c1-20-16-9-5-8-13-14(16)11-19-15-10-17(21-18(13)15)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyHMPAVWOXJMOMFF-UHFFFAOYSA-N
XLogP5.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.38
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-phenylthieno[3,2-c]isoquinoline?
The IUPAC name of 6-methoxy-2-phenylthieno[3,2-c]isoquinoline (CID 162412672) is 6-methoxy-2-phenylthieno[3,2-c]isoquinoline.
What is the SMILES notation for 6-methoxy-2-phenylthieno[3,2-c]isoquinoline?
The canonical SMILES for 6-methoxy-2-phenylthieno[3,2-c]isoquinoline is COc1cccc2c1cnc1cc(-c3ccccc3)sc12.
What is the InChIKey of 6-methoxy-2-phenylthieno[3,2-c]isoquinoline?
The InChIKey is HMPAVWOXJMOMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NOS/c1-20-16-9-5-8-13-14(16)11-19-15-10-17(21-18(13)15)12-6-3-2-4-7-12/h2-11H,1H3.
What are the key properties of 6-methoxy-2-phenylthieno[3,2-c]isoquinoline?
6-methoxy-2-phenylthieno[3,2-c]isoquinoline has a molecular weight of 291.38 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-phenylthieno[3,2-c]isoquinoline is sourced from PubChem (CID 162412672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).