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

C17H17N3O2S — CID 1176129

IUPAC2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1ccc2cc(C)c(SCC(=O)Nc3cc(C)on3)nc2c1
InChIInChI=1S/C17H17N3O2S/c1-10-4-5-13-7-11(2)17(18-14(13)6-10)23-9-16(21)19-15-8-12(3)22-20-15/h4-8H,9H2,1-3H3,(H,19,20,21)
InChIKeyGCGMVFACKOBYGX-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.88
Rot. Bonds4

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

2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 1176129) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID1176129
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1ccc2cc(C)c(SCC(=O)Nc3cc(C)on3)nc2c1
InChIInChI=1S/C17H17N3O2S/c1-10-4-5-13-7-11(2)17(18-14(13)6-10)23-9-16(21)19-15-8-12(3)22-20-15/h4-8H,9H2,1-3H3,(H,19,20,21)
InChIKeyGCGMVFACKOBYGX-UHFFFAOYSA-N
XLogP3.88
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(5-Methyl-isoxazol-3-yl)-2-(3,7,8-trimethyl-quinolin-2-ylsulfanyl)-acetamide
CID 857565
2-(3-Cyano-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1433850
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2216801
N-(5-methyl-3-isoxazolyl)-2-(4-methylphenyl)-4-quinolinecarboxamide
CID 897342
2-(7-Methoxy-3-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 648080
2-(3-Ethyl-7-methoxy-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 650104
2-[2-(2-Cyclopentyl-ethyl)-quinazolin-4-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 651643
N-(5-Methyl-isoxazol-3-yl)-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 653552
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 709545
N-(5-methyl-3-isoxazolyl)-2-[(2-propan-2-yl-4-quinazolinyl)thio]acetamide
CID 1442803
2-(3-Cyano-5,8-dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1450200
Acetamide,2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]-N-(5-methyl-3-isoxazolyl)-
CID 1450291

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 1176129) is 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1ccc2cc(C)c(SCC(=O)Nc3cc(C)on3)nc2c1.
What is the InChIKey of 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is GCGMVFACKOBYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-4-5-13-7-11(2)17(18-14(13)6-10)23-9-16(21)19-15-8-12(3)22-20-15/h4-8H,9H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 1176129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).