2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide

C20H19N3O2S — CID 23614207

IUPAC2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nc2c(cc1C#N)C(=O)CCC2
InChIInChI=1S/C20H19N3O2S/c1-12-5-3-6-13(2)19(12)23-18(25)11-26-20-14(10-21)9-15-16(22-20)7-4-8-17(15)24/h3,5-6,9H,4,7-8,11H2,1-2H3,(H,23,25)
InChIKeyDYEWMYIVDRFFAC-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.82
Rot. Bonds4

About 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide

2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 23614207) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID23614207
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nc2c(cc1C#N)C(=O)CCC2
InChIInChI=1S/C20H19N3O2S/c1-12-5-3-6-13(2)19(12)23-18(25)11-26-20-14(10-21)9-15-16(22-20)7-4-8-17(15)24/h3,5-6,9H,4,7-8,11H2,1-2H3,(H,23,25)
InChIKeyDYEWMYIVDRFFAC-UHFFFAOYSA-N
XLogP3.82
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide (CID 23614207) is 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CSc1nc2c(cc1C#N)C(=O)CCC2.
What is the InChIKey of 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is DYEWMYIVDRFFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-12-5-3-6-13(2)19(12)23-18(25)11-26-20-14(10-21)9-15-16(22-20)7-4-8-17(15)24/h3,5-6,9H,4,7-8,11H2,1-2H3,(H,23,25).
What are the key properties of 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 365.46 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 23614207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).