3-methoxy-4-phenylsulfanylcinnoline

C15H12N2OS — CID 15889677

IUPAC3-methoxy-4-phenylsulfanylcinnoline
SMILESCOc1nnc2ccccc2c1Sc1ccccc1
InChIInChI=1S/C15H12N2OS/c1-18-15-14(19-11-7-3-2-4-8-11)12-9-5-6-10-13(12)16-17-15/h2-10H,1H3
InChIKeyBUDJJTHVEOIPAV-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.79
Rot. Bonds3

About 3-methoxy-4-phenylsulfanylcinnoline

3-methoxy-4-phenylsulfanylcinnoline (PubChem CID 15889677) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-methoxy-4-phenylsulfanylcinnoline.

Molecular Properties

Compound Name3-methoxy-4-phenylsulfanylcinnoline
PubChem CID15889677
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name3-methoxy-4-phenylsulfanylcinnoline
SMILESCOc1nnc2ccccc2c1Sc1ccccc1
InChIInChI=1S/C15H12N2OS/c1-18-15-14(19-11-7-3-2-4-8-11)12-9-5-6-10-13(12)16-17-15/h2-10H,1H3
InChIKeyBUDJJTHVEOIPAV-UHFFFAOYSA-N
XLogP3.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-phenylsulfanylcinnoline?
The IUPAC name of 3-methoxy-4-phenylsulfanylcinnoline (CID 15889677) is 3-methoxy-4-phenylsulfanylcinnoline.
What is the SMILES notation for 3-methoxy-4-phenylsulfanylcinnoline?
The canonical SMILES for 3-methoxy-4-phenylsulfanylcinnoline is COc1nnc2ccccc2c1Sc1ccccc1.
What is the InChIKey of 3-methoxy-4-phenylsulfanylcinnoline?
The InChIKey is BUDJJTHVEOIPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-18-15-14(19-11-7-3-2-4-8-11)12-9-5-6-10-13(12)16-17-15/h2-10H,1H3.
What are the key properties of 3-methoxy-4-phenylsulfanylcinnoline?
3-methoxy-4-phenylsulfanylcinnoline has a molecular weight of 268.34 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-phenylsulfanylcinnoline is sourced from PubChem (CID 15889677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).