2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-4-methylquinoline

C18H16FNOS — CID 46302813

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-4-methylquinoline
SMILESCOc1cccc2c(C)cc(SCc3ccc(F)cc3)nc12
InChIInChI=1S/C18H16FNOS/c1-12-10-17(22-11-13-6-8-14(19)9-7-13)20-18-15(12)4-3-5-16(18)21-2/h3-10H,11H2,1-2H3
InChIKeySLNYKCQGZHKODH-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.98
Rot. Bonds4

About 2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-4-methylquinoline

2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-4-methylquinoline (PubChem CID 46302813) has the molecular formula C18H16FNOS and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-4-methylquinoline.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-4-methylquinoline
PubChem CID46302813
Molecular FormulaC18H16FNOS
Molecular Weight313.40 g/mol
Exact Mass313.09
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-4-methylquinoline
SMILESCOc1cccc2c(C)cc(SCc3ccc(F)cc3)nc12
InChIInChI=1S/C18H16FNOS/c1-12-10-17(22-11-13-6-8-14(19)9-7-13)20-18-15(12)4-3-5-16(18)21-2/h3-10H,11H2,1-2H3
InChIKeySLNYKCQGZHKODH-UHFFFAOYSA-N
XLogP4.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-4-methylquinoline?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-4-methylquinoline (CID 46302813) is 2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-4-methylquinoline.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-4-methylquinoline?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-4-methylquinoline is COc1cccc2c(C)cc(SCc3ccc(F)cc3)nc12.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-4-methylquinoline?
The InChIKey is SLNYKCQGZHKODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNOS/c1-12-10-17(22-11-13-6-8-14(19)9-7-13)20-18-15(12)4-3-5-16(18)21-2/h3-10H,11H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-4-methylquinoline?
2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-4-methylquinoline has a molecular weight of 313.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-4-methylquinoline is sourced from PubChem (CID 46302813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).