4-methyl-3-[(S)-(4-methylphenyl)sulfinyl]quinoline

C17H15NOS — CID 11991480

IUPAC4-methyl-3-[(S)-(4-methylphenyl)sulfinyl]quinoline
SMILESCc1ccc([S@](=O)c2cnc3ccccc3c2C)cc1
InChIInChI=1S/C17H15NOS/c1-12-7-9-14(10-8-12)20(19)17-11-18-16-6-4-3-5-15(16)13(17)2/h3-11H,1-2H3/t20-/m0/s1
InChIKeyLVPLXZZISOBLFH-FQEVSTJZSA-N
MW281.38 g/mol
LogP4.02
Rot. Bonds2

About 4-methyl-3-[(S)-(4-methylphenyl)sulfinyl]quinoline

4-methyl-3-[(S)-(4-methylphenyl)sulfinyl]quinoline (PubChem CID 11991480) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-methyl-3-[(S)-(4-methylphenyl)sulfinyl]quinoline.

Molecular Properties

Compound Name4-methyl-3-[(S)-(4-methylphenyl)sulfinyl]quinoline
PubChem CID11991480
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name4-methyl-3-[(S)-(4-methylphenyl)sulfinyl]quinoline
SMILESCc1ccc([S@](=O)c2cnc3ccccc3c2C)cc1
InChIInChI=1S/C17H15NOS/c1-12-7-9-14(10-8-12)20(19)17-11-18-16-6-4-3-5-15(16)13(17)2/h3-11H,1-2H3/t20-/m0/s1
InChIKeyLVPLXZZISOBLFH-FQEVSTJZSA-N
XLogP4.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(S)-(4-methylphenyl)sulfinyl]quinoline?
The IUPAC name of 4-methyl-3-[(S)-(4-methylphenyl)sulfinyl]quinoline (CID 11991480) is 4-methyl-3-[(S)-(4-methylphenyl)sulfinyl]quinoline.
What is the SMILES notation for 4-methyl-3-[(S)-(4-methylphenyl)sulfinyl]quinoline?
The canonical SMILES for 4-methyl-3-[(S)-(4-methylphenyl)sulfinyl]quinoline is Cc1ccc([S@](=O)c2cnc3ccccc3c2C)cc1.
What is the InChIKey of 4-methyl-3-[(S)-(4-methylphenyl)sulfinyl]quinoline?
The InChIKey is LVPLXZZISOBLFH-FQEVSTJZSA-N. The full InChI is InChI=1S/C17H15NOS/c1-12-7-9-14(10-8-12)20(19)17-11-18-16-6-4-3-5-15(16)13(17)2/h3-11H,1-2H3/t20-/m0/s1.
What are the key properties of 4-methyl-3-[(S)-(4-methylphenyl)sulfinyl]quinoline?
4-methyl-3-[(S)-(4-methylphenyl)sulfinyl]quinoline has a molecular weight of 281.38 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(S)-(4-methylphenyl)sulfinyl]quinoline is sourced from PubChem (CID 11991480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).