N-[(E)-(2-chlorophenyl)methylideneamino]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide

C19H16ClN3O2S — CID 56689381

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide
SMILESCn1c(=O)cc(SCC(=O)N/N=C/c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C19H16ClN3O2S/c1-23-16-9-5-3-7-14(16)17(10-19(23)25)26-12-18(24)22-21-11-13-6-2-4-8-15(13)20/h2-11H,12H2,1H3,(H,22,24)/b21-11+
InChIKeyIGVHMFNIAFSYNQ-SRZZPIQSSA-N
MW385.88 g/mol
LogP3.43
Rot. Bonds5

About N-[(E)-(2-chlorophenyl)methylideneamino]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide

N-[(E)-(2-chlorophenyl)methylideneamino]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide (PubChem CID 56689381) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide
PubChem CID56689381
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide
SMILESCn1c(=O)cc(SCC(=O)N/N=C/c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C19H16ClN3O2S/c1-23-16-9-5-3-7-14(16)17(10-19(23)25)26-12-18(24)22-21-11-13-6-2-4-8-15(13)20/h2-11H,12H2,1H3,(H,22,24)/b21-11+
InChIKeyIGVHMFNIAFSYNQ-SRZZPIQSSA-N
XLogP3.43
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 6129367
N-[(2-chlorophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4510714
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 10665227
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 5394849
N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide
CID 3708913
N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 75150430
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 6886093
2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 728512
N-[(2-chlorophenyl)methylideneamino]-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 5169699
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 171981130
N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 709280
N-[(E)-(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 6883998

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide (CID 56689381) is N-[(E)-(2-chlorophenyl)methylideneamino]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide is Cn1c(=O)cc(SCC(=O)N/N=C/c2ccccc2Cl)c2ccccc21.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The InChIKey is IGVHMFNIAFSYNQ-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-23-16-9-5-3-7-14(16)17(10-19(23)25)26-12-18(24)22-21-11-13-6-2-4-8-15(13)20/h2-11H,12H2,1H3,(H,22,24)/b21-11+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide has a molecular weight of 385.88 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 56689381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).