2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide

C18H22N2O3S — CID 3922161

IUPAC2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc2c(C)cc(SCC(=O)NCC3CCCO3)nc2c1
InChIInChI=1S/C18H22N2O3S/c1-12-8-18(20-16-9-13(22-2)5-6-15(12)16)24-11-17(21)19-10-14-4-3-7-23-14/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3,(H,19,21)
InChIKeySPLPBUKWWADEGT-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.94
Rot. Bonds6

About 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide

2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3922161) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3922161
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc2c(C)cc(SCC(=O)NCC3CCCO3)nc2c1
InChIInChI=1S/C18H22N2O3S/c1-12-8-18(20-16-9-13(22-2)5-6-15(12)16)24-11-17(21)19-10-14-4-3-7-23-14/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3,(H,19,21)
InChIKeySPLPBUKWWADEGT-UHFFFAOYSA-N
XLogP2.94
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (CID 3922161) is 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide is COc1ccc2c(C)cc(SCC(=O)NCC3CCCO3)nc2c1.
What is the InChIKey of 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is SPLPBUKWWADEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12-8-18(20-16-9-13(22-2)5-6-15(12)16)24-11-17(21)19-10-14-4-3-7-23-14/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3922161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).