8-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-2-methylquinoline

Name: 8-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-2-methylquinoline — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₆FNOS — CID 1232493

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC8-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-2-methylquinoline

SMILESCOc1ccc(CSc2cccc3ccc(C)nc23)cc1F

InChIInChI=1S/C18H16FNOS/c1-12-6-8-14-4-3-5-17(18(14)20-12)22-11-13-7-9-16(21-2)15(19)10-13/h3-10H,11H2,1-2H3

InChIKeyZJLAKOYWUBMAHW-UHFFFAOYSA-N

MW313.40 g/mol

LogP4.98

Rot. Bonds4

About 8-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-2-methylquinoline

8-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-2-methylquinoline (PubChem CID 1232493) has the molecular formula C₁₈H₁₆FNOS and a molecular weight of 313.40 g/mol. Its IUPAC name is 8-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-2-methylquinoline.

Molecular Properties

Compound Name	8-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-2-methylquinoline
PubChem CID	1232493
Molecular Formula	C₁₈H₁₆FNOS
Molecular Weight	313.40 g/mol
Exact Mass	313.09
IUPAC Name	8-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-2-methylquinoline
SMILES	COc1ccc(CSc2cccc3ccc(C)nc23)cc1F
InChI	InChI=1S/C18H16FNOS/c1-12-6-8-14-4-3-5-17(18(14)20-12)22-11-13-7-9-16(21-2)15(19)10-13/h3-10H,11H2,1-2H3
InChIKey	ZJLAKOYWUBMAHW-UHFFFAOYSA-N
XLogP	4.98
TPSA	22.12 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.40
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-2-methylquinoline?

The IUPAC name of 8-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-2-methylquinoline (CID 1232493) is 8-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-2-methylquinoline.

What is the SMILES notation for 8-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-2-methylquinoline?

The canonical SMILES for 8-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-2-methylquinoline is COc1ccc(CSc2cccc3ccc(C)nc23)cc1F.

What is the InChIKey of 8-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-2-methylquinoline?

The InChIKey is ZJLAKOYWUBMAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNOS/c1-12-6-8-14-4-3-5-17(18(14)20-12)22-11-13-7-9-16(21-2)15(19)10-13/h3-10H,11H2,1-2H3.

What are the key properties of 8-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-2-methylquinoline?

8-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-2-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 8-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-2-methylquinoline is sourced from PubChem (CID 1232493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 1232493 — identifiers, structure, computed properties (public domain)

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