2-(2-methoxyphenyl)sulfanyl-3-phenylquinoline

C22H17NOS — CID 3709839

IUPAC2-(2-methoxyphenyl)sulfanyl-3-phenylquinoline
SMILESCOc1ccccc1Sc1nc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C22H17NOS/c1-24-20-13-7-8-14-21(20)25-22-18(16-9-3-2-4-10-16)15-17-11-5-6-12-19(17)23-22/h2-15H,1H3
InChIKeyADXBNDSJVPSYDJ-UHFFFAOYSA-N
MW343.45 g/mol
LogP6.06
Rot. Bonds4

About 2-(2-methoxyphenyl)sulfanyl-3-phenylquinoline

2-(2-methoxyphenyl)sulfanyl-3-phenylquinoline (PubChem CID 3709839) has the molecular formula C22H17NOS and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfanyl-3-phenylquinoline.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfanyl-3-phenylquinoline
PubChem CID3709839
Molecular FormulaC22H17NOS
Molecular Weight343.45 g/mol
Exact Mass343.10
IUPAC Name2-(2-methoxyphenyl)sulfanyl-3-phenylquinoline
SMILESCOc1ccccc1Sc1nc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C22H17NOS/c1-24-20-13-7-8-14-21(20)25-22-18(16-9-3-2-4-10-16)15-17-11-5-6-12-19(17)23-22/h2-15H,1H3
InChIKeyADXBNDSJVPSYDJ-UHFFFAOYSA-N
XLogP6.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfanyl-3-phenylquinoline?
The IUPAC name of 2-(2-methoxyphenyl)sulfanyl-3-phenylquinoline (CID 3709839) is 2-(2-methoxyphenyl)sulfanyl-3-phenylquinoline.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfanyl-3-phenylquinoline?
The canonical SMILES for 2-(2-methoxyphenyl)sulfanyl-3-phenylquinoline is COc1ccccc1Sc1nc2ccccc2cc1-c1ccccc1.
What is the InChIKey of 2-(2-methoxyphenyl)sulfanyl-3-phenylquinoline?
The InChIKey is ADXBNDSJVPSYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NOS/c1-24-20-13-7-8-14-21(20)25-22-18(16-9-3-2-4-10-16)15-17-11-5-6-12-19(17)23-22/h2-15H,1H3.
What are the key properties of 2-(2-methoxyphenyl)sulfanyl-3-phenylquinoline?
2-(2-methoxyphenyl)sulfanyl-3-phenylquinoline has a molecular weight of 343.45 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfanyl-3-phenylquinoline is sourced from PubChem (CID 3709839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).