N-[(E)-(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide

C19H17N3O2S — CID 6898485

IUPACN-[(E)-(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
SMILESCOc1ccccc1/C=N/NC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C19H17N3O2S/c1-24-17-9-5-3-7-15(17)12-20-22-18(23)13-25-19-11-10-14-6-2-4-8-16(14)21-19/h2-12H,13H2,1H3,(H,22,23)/b20-12+
InChIKeyJYWMWDRLUANMPX-UDWIEESQSA-N
MW351.43 g/mol
LogP3.49
Rot. Bonds6

About N-[(E)-(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide

N-[(E)-(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide (PubChem CID 6898485) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(E)-(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
PubChem CID6898485
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[(E)-(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
SMILESCOc1ccccc1/C=N/NC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C19H17N3O2S/c1-24-17-9-5-3-7-15(17)12-20-22-18(23)13-25-19-11-10-14-6-2-4-8-16(14)21-19/h2-12H,13H2,1H3,(H,22,23)/b20-12+
InChIKeyJYWMWDRLUANMPX-UDWIEESQSA-N
XLogP3.49
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.49
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'}

Analyze N-[(E)-(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide 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

Ethanamine, N,N-dimethyl-2-((3-(2-methoxyphenyl)-2-quinolinyl)thio)-, monohydrochloride
CID 3069816
3-(2,7-Dimethoxyacridin-9-ylthio)propan-1-amine
CID 53390843
N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide
CID 855603
N-cyclopentyl-2-[(6-methoxy-3-methyl-2-quinolinyl)thio]acetamide
CID 862401
(Quinolin-2-ylsulfanyl)-acetic acid (4-hydroxy-benzylidene)-hydrazide
CID 135403117
N'-[(1E)-(2-hydroxyphenyl)methylene]-2-(quinolin-2-ylthio)acetohydrazide
CID 135603957
Acetic acid, 2-[(6-methoxy-4-methyl-2-quinolinyl)thio]-, hydrazide
CID 944480
2-(2-methylquinolin-4-yl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 9594938
2-[3-(4-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride
CID 13200248
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 24988481
2-(8-methoxy-2-methyl-quinolin-4-yl)sulfanyl-N''-[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide
CID 135460613
N-(4-methoxyphenyl)-3-(2-quinolinylthio)propanamide
CID 890011

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide (CID 6898485) is N-[(E)-(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(E)-(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(E)-(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide is COc1ccccc1/C=N/NC(=O)CSc1ccc2ccccc2n1.
What is the InChIKey of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is JYWMWDRLUANMPX-UDWIEESQSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-24-17-9-5-3-7-15(17)12-20-22-18(23)13-25-19-11-10-14-6-2-4-8-16(14)21-19/h2-12H,13H2,1H3,(H,22,23)/b20-12+.
What are the key properties of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide?
N-[(E)-(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 351.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 6898485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).