8-[(R)-benzylsulfinyl]quinoline

C16H13NOS — CID 95559201

IUPAC8-[(R)-benzylsulfinyl]quinoline
SMILESO=[S@](Cc1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C16H13NOS/c18-19(12-13-6-2-1-3-7-13)15-10-4-8-14-9-5-11-17-16(14)15/h1-11H,12H2/t19-/m1/s1
InChIKeyDLYMKPQNSHPXNO-LJQANCHMSA-N
MW267.35 g/mol
LogP3.54
Rot. Bonds3

About 8-[(R)-benzylsulfinyl]quinoline

8-[(R)-benzylsulfinyl]quinoline (PubChem CID 95559201) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 8-[(R)-benzylsulfinyl]quinoline.

Molecular Properties

Compound Name8-[(R)-benzylsulfinyl]quinoline
PubChem CID95559201
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name8-[(R)-benzylsulfinyl]quinoline
SMILESO=[S@](Cc1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C16H13NOS/c18-19(12-13-6-2-1-3-7-13)15-10-4-8-14-9-5-11-17-16(14)15/h1-11H,12H2/t19-/m1/s1
InChIKeyDLYMKPQNSHPXNO-LJQANCHMSA-N
XLogP3.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-methylsulfinylquinoline;hydrate
CID 143541926
2-benzylsulfinylpyridine
CID 13185049
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
2-[(R)-benzylsulfinyl]phenol
CID 139142856
mercury;8-phenylquinoline;hydrate
CID 174770535
3-(quinolin-8-ylmethylsulfinyl)propanoic acid
CID 60983236
4-phenyl-1-quinolin-8-ylbutan-1-one
CID 105093201
2-(quinolin-8-ylmethylsulfinyl)propanoic acid
CID 54883641
1-benzyl-3-quinolin-8-ylthiourea
CID 8655123
carbanide;1,10-phenanthroline;bis(trioxorhenium)
CID 59270684
1-phenyl-2-quinolin-8-ylbutan-2-ol
CID 81196654
N-(4-phenylbutan-2-yl)quinolin-8-amine
CID 43098678

Frequently Asked Questions

What is the IUPAC name of 8-[(R)-benzylsulfinyl]quinoline?
The IUPAC name of 8-[(R)-benzylsulfinyl]quinoline (CID 95559201) is 8-[(R)-benzylsulfinyl]quinoline.
What is the SMILES notation for 8-[(R)-benzylsulfinyl]quinoline?
The canonical SMILES for 8-[(R)-benzylsulfinyl]quinoline is O=[S@](Cc1ccccc1)c1cccc2cccnc12.
What is the InChIKey of 8-[(R)-benzylsulfinyl]quinoline?
The InChIKey is DLYMKPQNSHPXNO-LJQANCHMSA-N. The full InChI is InChI=1S/C16H13NOS/c18-19(12-13-6-2-1-3-7-13)15-10-4-8-14-9-5-11-17-16(14)15/h1-11H,12H2/t19-/m1/s1.
What are the key properties of 8-[(R)-benzylsulfinyl]quinoline?
8-[(R)-benzylsulfinyl]quinoline has a molecular weight of 267.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(R)-benzylsulfinyl]quinoline is sourced from PubChem (CID 95559201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).