N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide

C19H14ClN3OS — CID 1076923

IUPACN-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3Cl)nc2c1
InChIInChI=1S/C19H14ClN3OS/c1-12-6-7-13-9-14(10-21)19(23-17(13)8-12)25-11-18(24)22-16-5-3-2-4-15(16)20/h2-9H,11H2,1H3,(H,22,24)
InChIKeyDYFHNEOJIGOWQL-UHFFFAOYSA-N
MW367.86 g/mol
LogP4.80
Rot. Bonds4

About N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide

N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 1076923) has the molecular formula C19H14ClN3OS and a molecular weight of 367.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide
PubChem CID1076923
Molecular FormulaC19H14ClN3OS
Molecular Weight367.86 g/mol
Exact Mass367.05
IUPAC NameN-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3Cl)nc2c1
InChIInChI=1S/C19H14ClN3OS/c1-12-6-7-13-9-14(10-21)19(23-17(13)8-12)25-11-18(24)22-16-5-3-2-4-15(16)20/h2-9H,11H2,1H3,(H,22,24)
InChIKeyDYFHNEOJIGOWQL-UHFFFAOYSA-N
XLogP4.80
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1151269
N-(2-chlorophenyl)-2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanylacetamide
CID 43812152
methyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1151265
methyl 2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetate
CID 654307
N-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
CID 1207078
ethyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 995334
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-(4-methoxy-2-nitrophenyl)acetamide
CID 3138422
N-(3-chloro-4-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
CID 1373542
methyl 2-[[2-(3-cyano-7-methoxyquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1374306
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 651442
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 1450256
2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 43811391

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide (CID 1076923) is N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide is Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3Cl)nc2c1.
What is the InChIKey of N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is DYFHNEOJIGOWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3OS/c1-12-6-7-13-9-14(10-21)19(23-17(13)8-12)25-11-18(24)22-16-5-3-2-4-15(16)20/h2-9H,11H2,1H3,(H,22,24).
What are the key properties of N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide?
N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 367.86 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1076923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).