2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide

C16H15N3OS — CID 3207500

IUPAC2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nc2ccc(C)cc2cc1C#N
InChIInChI=1S/C16H15N3OS/c1-3-6-18-15(20)10-21-16-13(9-17)8-12-7-11(2)4-5-14(12)19-16/h3-5,7-8H,1,6,10H2,2H3,(H,18,20)
InChIKeyXRWMCLKGTCEJTP-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.81
Rot. Bonds5

About 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide

2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide (PubChem CID 3207500) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide
PubChem CID3207500
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nc2ccc(C)cc2cc1C#N
InChIInChI=1S/C16H15N3OS/c1-3-6-18-15(20)10-21-16-13(9-17)8-12-7-11(2)4-5-14(12)19-16/h3-5,7-8H,1,6,10H2,2H3,(H,18,20)
InChIKeyXRWMCLKGTCEJTP-UHFFFAOYSA-N
XLogP2.81
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
CID 3207501
6-methyl-2-(2-oxopropylsulfanyl)quinoline-3-carbonitrile
CID 865643
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide
CID 865629
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 3207488
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 865636
N-(3-chloro-4-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
CID 1373542
N-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
CID 1207078
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 3207512
2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methylquinoline-3-carbonitrile
CID 865645
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
CID 1105343
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1450405
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-prop-2-enylacetamide
CID 2522055

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide (CID 3207500) is 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide is C=CCNC(=O)CSc1nc2ccc(C)cc2cc1C#N.
What is the InChIKey of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide?
The InChIKey is XRWMCLKGTCEJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-3-6-18-15(20)10-21-16-13(9-17)8-12-7-11(2)4-5-14(12)19-16/h3-5,7-8H,1,6,10H2,2H3,(H,18,20).
What are the key properties of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide?
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide has a molecular weight of 297.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide is sourced from PubChem (CID 3207500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).