[4,7-bis(phenylsulfanyl)quinolin-3-yl]methanol

C22H17NOS2 — CID 71196808

IUPAC[4,7-bis(phenylsulfanyl)quinolin-3-yl]methanol
SMILESOCc1cnc2cc(Sc3ccccc3)ccc2c1Sc1ccccc1
InChIInChI=1S/C22H17NOS2/c24-15-16-14-23-21-13-19(25-17-7-3-1-4-8-17)11-12-20(21)22(16)26-18-9-5-2-6-10-18/h1-14,24H,15H2
InChIKeySNWHWJHUQBLERE-UHFFFAOYSA-N
MW375.52 g/mol
LogP6.03
Rot. Bonds5

About [4,7-bis(phenylsulfanyl)quinolin-3-yl]methanol

[4,7-bis(phenylsulfanyl)quinolin-3-yl]methanol (PubChem CID 71196808) has the molecular formula C22H17NOS2 and a molecular weight of 375.52 g/mol. Its IUPAC name is [4,7-bis(phenylsulfanyl)quinolin-3-yl]methanol.

Molecular Properties

Compound Name[4,7-bis(phenylsulfanyl)quinolin-3-yl]methanol
PubChem CID71196808
Molecular FormulaC22H17NOS2
Molecular Weight375.52 g/mol
Exact Mass375.08
IUPAC Name[4,7-bis(phenylsulfanyl)quinolin-3-yl]methanol
SMILESOCc1cnc2cc(Sc3ccccc3)ccc2c1Sc1ccccc1
InChIInChI=1S/C22H17NOS2/c24-15-16-14-23-21-13-19(25-17-7-3-1-4-8-17)11-12-20(21)22(16)26-18-9-5-2-6-10-18/h1-14,24H,15H2
InChIKeySNWHWJHUQBLERE-UHFFFAOYSA-N
XLogP6.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4,7-bis(phenylsulfanyl)quinolin-3-yl]methanol?
The IUPAC name of [4,7-bis(phenylsulfanyl)quinolin-3-yl]methanol (CID 71196808) is [4,7-bis(phenylsulfanyl)quinolin-3-yl]methanol.
What is the SMILES notation for [4,7-bis(phenylsulfanyl)quinolin-3-yl]methanol?
The canonical SMILES for [4,7-bis(phenylsulfanyl)quinolin-3-yl]methanol is OCc1cnc2cc(Sc3ccccc3)ccc2c1Sc1ccccc1.
What is the InChIKey of [4,7-bis(phenylsulfanyl)quinolin-3-yl]methanol?
The InChIKey is SNWHWJHUQBLERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NOS2/c24-15-16-14-23-21-13-19(25-17-7-3-1-4-8-17)11-12-20(21)22(16)26-18-9-5-2-6-10-18/h1-14,24H,15H2.
What are the key properties of [4,7-bis(phenylsulfanyl)quinolin-3-yl]methanol?
[4,7-bis(phenylsulfanyl)quinolin-3-yl]methanol has a molecular weight of 375.52 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,7-bis(phenylsulfanyl)quinolin-3-yl]methanol is sourced from PubChem (CID 71196808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).