3-naphthalen-2-ylsulfanylisoquinoline

C19H13NS — CID 132603220

IUPAC3-naphthalen-2-ylsulfanylisoquinoline
SMILESc1ccc2cc(Sc3cc4ccccc4cn3)ccc2c1
InChIInChI=1S/C19H13NS/c1-2-6-15-11-18(10-9-14(15)5-1)21-19-12-16-7-3-4-8-17(16)13-20-19/h1-13H
InChIKeyXEDSUCOBUNIKPU-UHFFFAOYSA-N
MW287.39 g/mol
LogP5.54
Rot. Bonds2

About 3-naphthalen-2-ylsulfanylisoquinoline

3-naphthalen-2-ylsulfanylisoquinoline (PubChem CID 132603220) has the molecular formula C19H13NS and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-naphthalen-2-ylsulfanylisoquinoline.

Molecular Properties

Compound Name3-naphthalen-2-ylsulfanylisoquinoline
PubChem CID132603220
Molecular FormulaC19H13NS
Molecular Weight287.39 g/mol
Exact Mass287.08
IUPAC Name3-naphthalen-2-ylsulfanylisoquinoline
SMILESc1ccc2cc(Sc3cc4ccccc4cn3)ccc2c1
InChIInChI=1S/C19H13NS/c1-2-6-15-11-18(10-9-14(15)5-1)21-19-12-16-7-3-4-8-17(16)13-20-19/h1-13H
InChIKeyXEDSUCOBUNIKPU-UHFFFAOYSA-N
XLogP5.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.39
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-naphthalen-2-ylsulfanylpyrimidine
CID 61277554
5-chloro-2-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid
CID 114920104
N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine
CID 80883966
6-naphthalen-2-ylsulfanylpyridazin-3-amine
CID 15265164
3,5-dichloro-2-naphthalen-2-ylsulfanylpyridine
CID 4848834
2,3,6,7,10,11-hexakis(naphthalen-2-ylsulfanyl)triphenylene
CID 20661250
2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide
CID 43519184
3-cyclopentylsulfanylisoquinoline
CID 132603218
5-bromo-2-naphthalen-2-ylsulfanylpyridin-3-amine
CID 55224154
5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine
CID 80884713
N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine
CID 80884550
4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine
CID 80873237

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylsulfanylisoquinoline?
The IUPAC name of 3-naphthalen-2-ylsulfanylisoquinoline (CID 132603220) is 3-naphthalen-2-ylsulfanylisoquinoline.
What is the SMILES notation for 3-naphthalen-2-ylsulfanylisoquinoline?
The canonical SMILES for 3-naphthalen-2-ylsulfanylisoquinoline is c1ccc2cc(Sc3cc4ccccc4cn3)ccc2c1.
What is the InChIKey of 3-naphthalen-2-ylsulfanylisoquinoline?
The InChIKey is XEDSUCOBUNIKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NS/c1-2-6-15-11-18(10-9-14(15)5-1)21-19-12-16-7-3-4-8-17(16)13-20-19/h1-13H.
What are the key properties of 3-naphthalen-2-ylsulfanylisoquinoline?
3-naphthalen-2-ylsulfanylisoquinoline has a molecular weight of 287.39 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylsulfanylisoquinoline is sourced from PubChem (CID 132603220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).