2-(7-methoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H17N3O3S — CID 648080

IUPAC2-(7-methoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc2cc(C)c(SCC(=O)Nc3cc(C)on3)nc2c1
InChIInChI=1S/C17H17N3O3S/c1-10-6-12-4-5-13(22-3)8-14(12)18-17(10)24-9-16(21)19-15-7-11(2)23-20-15/h4-8H,9H2,1-3H3,(H,19,20,21)
InChIKeyKNWNWSXSNCRQHQ-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.58
Rot. Bonds5

About 2-(7-methoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(7-methoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 648080) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(7-methoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(7-methoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID648080
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-(7-methoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc2cc(C)c(SCC(=O)Nc3cc(C)on3)nc2c1
InChIInChI=1S/C17H17N3O3S/c1-10-6-12-4-5-13(22-3)8-14(12)18-17(10)24-9-16(21)19-15-7-11(2)23-20-15/h4-8H,9H2,1-3H3,(H,19,20,21)
InChIKeyKNWNWSXSNCRQHQ-UHFFFAOYSA-N
XLogP3.58
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(7-methoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

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Related Compounds

2-(3,7-Dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1176129
2-(3-Cyano-7-methoxy-quinolin-2-ylsulfanyl)-N-(4-methyl-furazan-3-yl)-acetamide
CID 24792497
2-(3-Ethyl-7-methoxy-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 650104
3-[4-(4-Methoxy-phenyl)-6-trifluoromethyl-pyrimidin-2-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-propionamide
CID 652820
2-[(3-Cyano-6-methoxy-2-quinolinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 1450417
N-carbamoyl-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
CID 2588947
2-(3-Ethyl-6-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3208003
2-[(7-Methoxy-4-methylquinolin-2-YL)sulfanyl]-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-YL]acetamide
CID 15991368
2-(3-Cyano-6,7-dimethoxy-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 24792485
2-(3,8-Dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 24792686
2-(6-Ethoxy-3-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1176245
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(7-methoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 648080) is 2-(7-methoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(7-methoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(7-methoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1ccc2cc(C)c(SCC(=O)Nc3cc(C)on3)nc2c1.
What is the InChIKey of 2-(7-methoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is KNWNWSXSNCRQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10-6-12-4-5-13(22-3)8-14(12)18-17(10)24-9-16(21)19-15-7-11(2)23-20-15/h4-8H,9H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(7-methoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(7-methoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-3-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 648080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).