2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide

C23H17N3OS — CID 1151269

IUPAC2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESCc1ccc2cc(C#N)c(SCC(=O)Nc3cccc4ccccc34)nc2c1
InChIInChI=1S/C23H17N3OS/c1-15-9-10-17-12-18(13-24)23(26-21(17)11-15)28-14-22(27)25-20-8-4-6-16-5-2-3-7-19(16)20/h2-12H,14H2,1H3,(H,25,27)
InChIKeyIUPPNYUZNYCJAK-UHFFFAOYSA-N
MW383.48 g/mol
LogP5.30
Rot. Bonds4

About 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide

2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide (PubChem CID 1151269) has the molecular formula C23H17N3OS and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
PubChem CID1151269
Molecular FormulaC23H17N3OS
Molecular Weight383.48 g/mol
Exact Mass383.11
IUPAC Name2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESCc1ccc2cc(C#N)c(SCC(=O)Nc3cccc4ccccc34)nc2c1
InChIInChI=1S/C23H17N3OS/c1-15-9-10-17-12-18(13-24)23(26-21(17)11-15)28-14-22(27)25-20-8-4-6-16-5-2-3-7-19(16)20/h2-12H,14H2,1H3,(H,25,27)
InChIKeyIUPPNYUZNYCJAK-UHFFFAOYSA-N
XLogP5.30
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide
CID 1076923
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
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 865131
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 1450256
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 651442
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
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 3207633
methyl 2-[[2-(3-cyano-7-methoxyquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1374306
2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 43811391
N-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide
CID 43812451

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide (CID 1151269) is 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide is Cc1ccc2cc(C#N)c(SCC(=O)Nc3cccc4ccccc34)nc2c1.
What is the InChIKey of 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The InChIKey is IUPPNYUZNYCJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3OS/c1-15-9-10-17-12-18(13-24)23(26-21(17)11-15)28-14-22(27)25-20-8-4-6-16-5-2-3-7-19(16)20/h2-12H,14H2,1H3,(H,25,27).
What are the key properties of 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide has a molecular weight of 383.48 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 1151269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).