N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide

C20H16Cl3N3OS — CID 126123951

IUPACN-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
SMILESCc1ccc2cc(/C=N\NC(=O)CSCc3c(Cl)cccc3Cl)c(Cl)nc2c1
InChIInChI=1S/C20H16Cl3N3OS/c1-12-5-6-13-8-14(20(23)25-18(13)7-12)9-24-26-19(27)11-28-10-15-16(21)3-2-4-17(15)22/h2-9H,10-11H2,1H3,(H,26,27)/b24-9-
InChIKeyLSGVQGORYUCZHF-OPVMPGTRSA-N
MW452.79 g/mol
LogP5.89
Rot. Bonds6

About N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide

N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide (PubChem CID 126123951) has the molecular formula C20H16Cl3N3OS and a molecular weight of 452.79 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
PubChem CID126123951
Molecular FormulaC20H16Cl3N3OS
Molecular Weight452.79 g/mol
Exact Mass451.01
IUPAC NameN-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
SMILESCc1ccc2cc(/C=N\NC(=O)CSCc3c(Cl)cccc3Cl)c(Cl)nc2c1
InChIInChI=1S/C20H16Cl3N3OS/c1-12-5-6-13-8-14(20(23)25-18(13)7-12)9-24-26-19(27)11-28-10-15-16(21)3-2-4-17(15)22/h2-9H,10-11H2,1H3,(H,26,27)/b24-9-
InChIKeyLSGVQGORYUCZHF-OPVMPGTRSA-N
XLogP5.89
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.79
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]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

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 126135762
N-[(Z)-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
CID 126117967
N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-fluorobenzamide
CID 9236611
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 126120947
N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 8867893
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 126131430
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(3-methylanilino)acetamide
CID 5439769
(NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine
CID 51857757
N-[(2-chloro-7-methylquinolin-3-yl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 3624333
(2S)-N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]pyrrolidin-1-ium-2-carboxamide chloride
CID 44660832
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 132660242
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 171981130

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide (CID 126123951) is N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide is Cc1ccc2cc(/C=N\NC(=O)CSCc3c(Cl)cccc3Cl)c(Cl)nc2c1.
What is the InChIKey of N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide?
The InChIKey is LSGVQGORYUCZHF-OPVMPGTRSA-N. The full InChI is InChI=1S/C20H16Cl3N3OS/c1-12-5-6-13-8-14(20(23)25-18(13)7-12)9-24-26-19(27)11-28-10-15-16(21)3-2-4-17(15)22/h2-9H,10-11H2,1H3,(H,26,27)/b24-9-.
What are the key properties of N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide?
N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide has a molecular weight of 452.79 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 126123951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).