2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide

C18H22N2O2S — CID 3171519

IUPAC2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc2cc(C)c(SCC(=O)NCC3CCCO3)nc2c1
InChIInChI=1S/C18H22N2O2S/c1-12-5-6-14-9-13(2)18(20-16(14)8-12)23-11-17(21)19-10-15-4-3-7-22-15/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3,(H,19,21)
InChIKeyRQHTXALHTFNXHQ-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.24
Rot. Bonds5

About 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide

2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3171519) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3171519
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc2cc(C)c(SCC(=O)NCC3CCCO3)nc2c1
InChIInChI=1S/C18H22N2O2S/c1-12-5-6-14-9-13(2)18(20-16(14)8-12)23-11-17(21)19-10-15-4-3-7-22-15/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3,(H,19,21)
InChIKeyRQHTXALHTFNXHQ-UHFFFAOYSA-N
XLogP3.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (CID 3171519) is 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc2cc(C)c(SCC(=O)NCC3CCCO3)nc2c1.
What is the InChIKey of 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is RQHTXALHTFNXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12-5-6-14-9-13(2)18(20-16(14)8-12)23-11-17(21)19-10-15-4-3-7-22-15/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3171519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).