N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide

C19H17N3O2S — CID 5435358

IUPACN-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESCOc1ccccc1/C=N\NC(=O)CSc1cccc2cccnc12
InChIInChI=1S/C19H17N3O2S/c1-24-16-9-3-2-6-15(16)12-21-22-18(23)13-25-17-10-4-7-14-8-5-11-20-19(14)17/h2-12H,13H2,1H3,(H,22,23)/b21-12-
InChIKeyNVRXKVBFNBKSNX-MTJSOVHGSA-N
MW351.43 g/mol
LogP3.49
Rot. Bonds6

About N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide

N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide (PubChem CID 5435358) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
PubChem CID5435358
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESCOc1ccccc1/C=N\NC(=O)CSc1cccc2cccnc12
InChIInChI=1S/C19H17N3O2S/c1-24-16-9-3-2-6-15(16)12-21-22-18(23)13-25-17-10-4-7-14-8-5-11-20-19(14)17/h2-12H,13H2,1H3,(H,22,23)/b21-12-
InChIKeyNVRXKVBFNBKSNX-MTJSOVHGSA-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'}

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Related Compounds

N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 4169698
2-(2-methoxyphenoxy)-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide
CID 5413897
N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5405310
N-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
CID 1376615
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 136911345
N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 6882442
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 1240020
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 136863963
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6864675
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 14546167
N-[(E)-[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126024146
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 135627845

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide (CID 5435358) is N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide is COc1ccccc1/C=N\NC(=O)CSc1cccc2cccnc12.
What is the InChIKey of N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is NVRXKVBFNBKSNX-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-24-16-9-3-2-6-15(16)12-21-22-18(23)13-25-17-10-4-7-14-8-5-11-20-19(14)17/h2-12H,13H2,1H3,(H,22,23)/b21-12-.
What are the key properties of N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-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-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 5435358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).