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

C18H14ClN3O2S — CID 23614201

IUPACN-(3-chlorophenyl)-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide
SMILESN#Cc1cc2c(nc1SCC(=O)Nc1cccc(Cl)c1)CCCC2=O
InChIInChI=1S/C18H14ClN3O2S/c19-12-3-1-4-13(8-12)21-17(24)10-25-18-11(9-20)7-14-15(22-18)5-2-6-16(14)23/h1,3-4,7-8H,2,5-6,10H2,(H,21,24)
InChIKeyLFSSNBBBVZITFQ-UHFFFAOYSA-N
MW371.85 g/mol
LogP3.86
Rot. Bonds4

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

N-(3-chlorophenyl)-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide (PubChem CID 23614201) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide
PubChem CID23614201
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC NameN-(3-chlorophenyl)-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide
SMILESN#Cc1cc2c(nc1SCC(=O)Nc1cccc(Cl)c1)CCCC2=O
InChIInChI=1S/C18H14ClN3O2S/c19-12-3-1-4-13(8-12)21-17(24)10-25-18-11(9-20)7-14-15(22-18)5-2-6-16(14)23/h1,3-4,7-8H,2,5-6,10H2,(H,21,24)
InChIKeyLFSSNBBBVZITFQ-UHFFFAOYSA-N
XLogP3.86
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide (CID 23614201) is N-(3-chlorophenyl)-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide is N#Cc1cc2c(nc1SCC(=O)Nc1cccc(Cl)c1)CCCC2=O.
What is the InChIKey of N-(3-chlorophenyl)-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide?
The InChIKey is LFSSNBBBVZITFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c19-12-3-1-4-13(8-12)21-17(24)10-25-18-11(9-20)7-14-15(22-18)5-2-6-16(14)23/h1,3-4,7-8H,2,5-6,10H2,(H,21,24).
What are the key properties of N-(3-chlorophenyl)-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide?
N-(3-chlorophenyl)-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide has a molecular weight of 371.85 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 23614201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).