2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C23H23N3O3S — CID 3207488

IUPAC2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CSc2nc3ccc(C)cc3cc2C#N)cc1OC
InChIInChI=1S/C23H23N3O3S/c1-15-4-6-19-17(10-15)12-18(13-24)23(26-19)30-14-22(27)25-9-8-16-5-7-20(28-2)21(11-16)29-3/h4-7,10-12H,8-9,14H2,1-3H3,(H,25,27)
InChIKeyHYBLIZZNRRLVSL-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.88
Rot. Bonds8

About 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 3207488) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID3207488
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CSc2nc3ccc(C)cc3cc2C#N)cc1OC
InChIInChI=1S/C23H23N3O3S/c1-15-4-6-19-17(10-15)12-18(13-24)23(26-19)30-14-22(27)25-9-8-16-5-7-20(28-2)21(11-16)29-3/h4-7,10-12H,8-9,14H2,1-3H3,(H,25,27)
InChIKeyHYBLIZZNRRLVSL-UHFFFAOYSA-N
XLogP3.88
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 23800629
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide
CID 3207500
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1450405
2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 1450788
6-methyl-2-(2-oxopropylsulfanyl)quinoline-3-carbonitrile
CID 865643
2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methylquinoline-3-carbonitrile
CID 865645
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1134565
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9458091
N-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
CID 3207501
2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 43811410
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 3207488) is 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CSc2nc3ccc(C)cc3cc2C#N)cc1OC.
What is the InChIKey of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is HYBLIZZNRRLVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-15-4-6-19-17(10-15)12-18(13-24)23(26-19)30-14-22(27)25-9-8-16-5-7-20(28-2)21(11-16)29-3/h4-7,10-12H,8-9,14H2,1-3H3,(H,25,27).
What are the key properties of 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 421.52 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 3207488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).