2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone

C17H20N2O3S — CID 2087886

IUPAC2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCOc1ccc2c(C)cc(SCC(=O)N3CCOCC3)nc2c1
InChIInChI=1S/C17H20N2O3S/c1-12-9-16(18-15-10-13(21-2)3-4-14(12)15)23-11-17(20)19-5-7-22-8-6-19/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyLDBAHXNHYNKYMH-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.50
Rot. Bonds4

About 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone

2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 2087886) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID2087886
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCOc1ccc2c(C)cc(SCC(=O)N3CCOCC3)nc2c1
InChIInChI=1S/C17H20N2O3S/c1-12-9-16(18-15-10-13(21-2)3-4-14(12)15)23-11-17(20)19-5-7-22-8-6-19/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyLDBAHXNHYNKYMH-UHFFFAOYSA-N
XLogP2.50
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
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-1-morpholin-4-ylethanone?
The IUPAC name of 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone (CID 2087886) is 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone is COc1ccc2c(C)cc(SCC(=O)N3CCOCC3)nc2c1.
What is the InChIKey of 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is LDBAHXNHYNKYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-9-16(18-15-10-13(21-2)3-4-14(12)15)23-11-17(20)19-5-7-22-8-6-19/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 332.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 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-1-morpholin-4-ylethanone is sourced from PubChem (CID 2087886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).