Methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate

Name: Methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₉NO₂S — CID 107777068

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

IUPACmethyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate

SMILESCOC(=O)CC1(CSc2nc3ccccc3cc2C)CC1

InChIInChI=1S/C17H19NO2S/c1-12-9-13-5-3-4-6-14(13)18-16(12)21-11-17(7-8-17)10-15(19)20-2/h3-6,9H,7-8,10-11H2,1-2H3

InChIKeyRPXIDWQXUUQNAV-UHFFFAOYSA-N

MW301.41 g/mol

LogP3.98

Rot. Bonds5

About Methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate

Methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate (PubChem CID 107777068) has the molecular formula C₁₇H₁₉NO₂S and a molecular weight of 301.41 g/mol. Its IUPAC name is methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Name	Methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate
PubChem CID	107777068
Molecular Formula	C₁₇H₁₉NO₂S
Molecular Weight	301.41 g/mol
Exact Mass	301.11
IUPAC Name	methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate
SMILES	COC(=O)CC1(CSc2nc3ccccc3cc2C)CC1
InChI	InChI=1S/C17H19NO2S/c1-12-9-13-5-3-4-6-14(13)18-16(12)21-11-17(7-8-17)10-15(19)20-2/h3-6,9H,7-8,10-11H2,1-2H3
InChIKey	RPXIDWQXUUQNAV-UHFFFAOYSA-N
XLogP	3.98
TPSA	39.19 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.41
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate?

The IUPAC name of Methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate (CID 107777068) is methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate.

What is the SMILES notation for Methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate?

The canonical SMILES for Methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate is COC(=O)CC1(CSc2nc3ccccc3cc2C)CC1.

What is the InChIKey of Methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate?

The InChIKey is RPXIDWQXUUQNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-9-13-5-3-4-6-14(13)18-16(12)21-11-17(7-8-17)10-15(19)20-2/h3-6,9H,7-8,10-11H2,1-2H3.

What are the key properties of Methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate?

Methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate has a molecular weight of 301.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107777068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 107777068 — identifiers, structure, computed properties (public domain)

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