1-chloro-6-[(5,6-dimethoxypyrazin-2-yl)methylsulfanyl]naphthalen-2-ol

C17H15ClN2O3S — CID 166951592

IUPAC1-chloro-6-[(5,6-dimethoxypyrazin-2-yl)methylsulfanyl]naphthalen-2-ol
SMILESCOc1ncc(CSc2ccc3c(Cl)c(O)ccc3c2)nc1OC
InChIInChI=1S/C17H15ClN2O3S/c1-22-16-17(23-2)20-11(8-19-16)9-24-12-4-5-13-10(7-12)3-6-14(21)15(13)18/h3-8,21H,9H2,1-2H3
InChIKeyDBQSDMPFTLZZAY-UHFFFAOYSA-N
MW362.84 g/mol
LogP4.30
Rot. Bonds5

About 1-chloro-6-[(5,6-dimethoxypyrazin-2-yl)methylsulfanyl]naphthalen-2-ol

1-chloro-6-[(5,6-dimethoxypyrazin-2-yl)methylsulfanyl]naphthalen-2-ol (PubChem CID 166951592) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 1-chloro-6-[(5,6-dimethoxypyrazin-2-yl)methylsulfanyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-chloro-6-[(5,6-dimethoxypyrazin-2-yl)methylsulfanyl]naphthalen-2-ol
PubChem CID166951592
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name1-chloro-6-[(5,6-dimethoxypyrazin-2-yl)methylsulfanyl]naphthalen-2-ol
SMILESCOc1ncc(CSc2ccc3c(Cl)c(O)ccc3c2)nc1OC
InChIInChI=1S/C17H15ClN2O3S/c1-22-16-17(23-2)20-11(8-19-16)9-24-12-4-5-13-10(7-12)3-6-14(21)15(13)18/h3-8,21H,9H2,1-2H3
InChIKeyDBQSDMPFTLZZAY-UHFFFAOYSA-N
XLogP4.30
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-[(5,6-dimethoxypyrazin-2-yl)methylsulfanyl]naphthalen-2-ol?
The IUPAC name of 1-chloro-6-[(5,6-dimethoxypyrazin-2-yl)methylsulfanyl]naphthalen-2-ol (CID 166951592) is 1-chloro-6-[(5,6-dimethoxypyrazin-2-yl)methylsulfanyl]naphthalen-2-ol.
What is the SMILES notation for 1-chloro-6-[(5,6-dimethoxypyrazin-2-yl)methylsulfanyl]naphthalen-2-ol?
The canonical SMILES for 1-chloro-6-[(5,6-dimethoxypyrazin-2-yl)methylsulfanyl]naphthalen-2-ol is COc1ncc(CSc2ccc3c(Cl)c(O)ccc3c2)nc1OC.
What is the InChIKey of 1-chloro-6-[(5,6-dimethoxypyrazin-2-yl)methylsulfanyl]naphthalen-2-ol?
The InChIKey is DBQSDMPFTLZZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-22-16-17(23-2)20-11(8-19-16)9-24-12-4-5-13-10(7-12)3-6-14(21)15(13)18/h3-8,21H,9H2,1-2H3.
What are the key properties of 1-chloro-6-[(5,6-dimethoxypyrazin-2-yl)methylsulfanyl]naphthalen-2-ol?
1-chloro-6-[(5,6-dimethoxypyrazin-2-yl)methylsulfanyl]naphthalen-2-ol has a molecular weight of 362.84 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-[(5,6-dimethoxypyrazin-2-yl)methylsulfanyl]naphthalen-2-ol is sourced from PubChem (CID 166951592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).