4-methyl-2-phenyl-3-phenylsulfanylquinoline

C22H17NS — CID 4685647

IUPAC4-methyl-2-phenyl-3-phenylsulfanylquinoline
SMILESCc1c(Sc2ccccc2)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H17NS/c1-16-19-14-8-9-15-20(19)23-21(17-10-4-2-5-11-17)22(16)24-18-12-6-3-7-13-18/h2-15H,1H3
InChIKeyDIJNIZRQSZPECA-UHFFFAOYSA-N
MW327.45 g/mol
LogP6.36
Rot. Bonds3

About 4-methyl-2-phenyl-3-phenylsulfanylquinoline

4-methyl-2-phenyl-3-phenylsulfanylquinoline (PubChem CID 4685647) has the molecular formula C22H17NS and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-methyl-2-phenyl-3-phenylsulfanylquinoline.

Molecular Properties

Compound Name4-methyl-2-phenyl-3-phenylsulfanylquinoline
PubChem CID4685647
Molecular FormulaC22H17NS
Molecular Weight327.45 g/mol
Exact Mass327.11
IUPAC Name4-methyl-2-phenyl-3-phenylsulfanylquinoline
SMILESCc1c(Sc2ccccc2)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H17NS/c1-16-19-14-8-9-15-20(19)23-21(17-10-4-2-5-11-17)22(16)24-18-12-6-3-7-13-18/h2-15H,1H3
InChIKeyDIJNIZRQSZPECA-UHFFFAOYSA-N
XLogP6.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.45
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-3-phenylsulfanylquinoline?
The IUPAC name of 4-methyl-2-phenyl-3-phenylsulfanylquinoline (CID 4685647) is 4-methyl-2-phenyl-3-phenylsulfanylquinoline.
What is the SMILES notation for 4-methyl-2-phenyl-3-phenylsulfanylquinoline?
The canonical SMILES for 4-methyl-2-phenyl-3-phenylsulfanylquinoline is Cc1c(Sc2ccccc2)c(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-phenyl-3-phenylsulfanylquinoline?
The InChIKey is DIJNIZRQSZPECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NS/c1-16-19-14-8-9-15-20(19)23-21(17-10-4-2-5-11-17)22(16)24-18-12-6-3-7-13-18/h2-15H,1H3.
What are the key properties of 4-methyl-2-phenyl-3-phenylsulfanylquinoline?
4-methyl-2-phenyl-3-phenylsulfanylquinoline has a molecular weight of 327.45 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-3-phenylsulfanylquinoline is sourced from PubChem (CID 4685647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).