2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C16H16N4O2S — CID 709545

IUPAC2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)no1
InChIInChI=1S/C16H16N4O2S/c1-10-6-14(20-22-10)19-15(21)9-23-16-12(8-17)7-11-4-2-3-5-13(11)18-16/h6-7H,2-5,9H2,1H3,(H,19,20,21)
InChIKeyCVNILSGPAGCTHY-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.86
Rot. Bonds4

About 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 709545) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID709545
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)no1
InChIInChI=1S/C16H16N4O2S/c1-10-6-14(20-22-10)19-15(21)9-23-16-12(8-17)7-11-4-2-3-5-13(11)18-16/h6-7H,2-5,9H2,1H3,(H,19,20,21)
InChIKeyCVNILSGPAGCTHY-UHFFFAOYSA-N
XLogP2.86
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-(5-Methyl-isoxazol-3-yl)-2-(3,7,8-trimethyl-quinolin-2-ylsulfanyl)-acetamide
CID 857565
2-(3,7-Dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1176129
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
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4046943
2-[(3-cyano-4-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 1005238
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
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
2-(3-Ethyl-6-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3208003

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 709545) is 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)no1.
What is the InChIKey of 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is CVNILSGPAGCTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-10-6-14(20-22-10)19-15(21)9-23-16-12(8-17)7-11-4-2-3-5-13(11)18-16/h6-7H,2-5,9H2,1H3,(H,19,20,21).
What are the key properties of 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 328.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 709545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).