2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

C19H17N3O3S — CID 2192689

IUPAC2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CCC3)cc1
InChIInChI=1S/C19H17N3O3S/c1-25-14-7-5-13(6-8-14)21-18(24)11-26-19-12(10-20)9-15-16(22-19)3-2-4-17(15)23/h5-9H,2-4,11H2,1H3,(H,21,24)
InChIKeyGJUXUDHDDNDBKZ-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.21
Rot. Bonds5

About 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide (PubChem CID 2192689) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
PubChem CID2192689
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CCC3)cc1
InChIInChI=1S/C19H17N3O3S/c1-25-14-7-5-13(6-8-14)21-18(24)11-26-19-12(10-20)9-15-16(22-19)3-2-4-17(15)23/h5-9H,2-4,11H2,1H3,(H,21,24)
InChIKeyGJUXUDHDDNDBKZ-UHFFFAOYSA-N
XLogP3.21
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide (CID 2192689) is 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CCC3)cc1.
What is the InChIKey of 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is GJUXUDHDDNDBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-14-7-5-13(6-8-14)21-18(24)11-26-19-12(10-20)9-15-16(22-19)3-2-4-17(15)23/h5-9H,2-4,11H2,1H3,(H,21,24).
What are the key properties of 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 367.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2192689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).