1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol

C19H19NO2S — CID 26031863

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol
SMILESCOc1ccc2ccc(O)c(CN3CCc4sccc4C3)c2c1
InChIInChI=1S/C19H19NO2S/c1-22-15-4-2-13-3-5-18(21)17(16(13)10-15)12-20-8-6-19-14(11-20)7-9-23-19/h2-5,7,9-10,21H,6,8,11-12H2,1H3
InChIKeyHNYCOLWGKCMPFQ-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.17
Rot. Bonds3

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol (PubChem CID 26031863) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol
PubChem CID26031863
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol
SMILESCOc1ccc2ccc(O)c(CN3CCc4sccc4C3)c2c1
InChIInChI=1S/C19H19NO2S/c1-22-15-4-2-13-3-5-18(21)17(16(13)10-15)12-20-8-6-19-14(11-20)7-9-23-19/h2-5,7,9-10,21H,6,8,11-12H2,1H3
InChIKeyHNYCOLWGKCMPFQ-UHFFFAOYSA-N
XLogP4.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol (CID 26031863) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol is COc1ccc2ccc(O)c(CN3CCc4sccc4C3)c2c1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol?
The InChIKey is HNYCOLWGKCMPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-22-15-4-2-13-3-5-18(21)17(16(13)10-15)12-20-8-6-19-14(11-20)7-9-23-19/h2-5,7,9-10,21H,6,8,11-12H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol has a molecular weight of 325.43 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-methoxynaphthalen-2-ol is sourced from PubChem (CID 26031863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).