2-(2-methylquinolin-4-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide

C18H16N4OS — CID 5410271

IUPAC2-(2-methylquinolin-4-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
SMILESCc1cc(SCC(=O)N/N=C\c2cccnc2)c2ccccc2n1
InChIInChI=1S/C18H16N4OS/c1-13-9-17(15-6-2-3-7-16(15)21-13)24-12-18(23)22-20-11-14-5-4-8-19-10-14/h2-11H,12H2,1H3,(H,22,23)/b20-11-
InChIKeyLTMDTFOGGNFMQO-JAIQZWGSSA-N
MW336.42 g/mol
LogP3.18
Rot. Bonds5

About 2-(2-methylquinolin-4-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide

2-(2-methylquinolin-4-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide (PubChem CID 5410271) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-(2-methylquinolin-4-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methylquinolin-4-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
PubChem CID5410271
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name2-(2-methylquinolin-4-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
SMILESCc1cc(SCC(=O)N/N=C\c2cccnc2)c2ccccc2n1
InChIInChI=1S/C18H16N4OS/c1-13-9-17(15-6-2-3-7-16(15)21-13)24-12-18(23)22-20-11-14-5-4-8-19-10-14/h2-11H,12H2,1H3,(H,22,23)/b20-11-
InChIKeyLTMDTFOGGNFMQO-JAIQZWGSSA-N
XLogP3.18
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.18
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-[(3,4-dimethoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 1130729
N-[(E)-(4-bromo-3-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 44538165
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6886795
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5418808
N-[(E)-benzylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 6866423
4-[(Z)-[[2-(2,6-dimethylquinolin-4-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
CID 5433692
N-[(4-bromophenyl)methylideneamino]-2-(2,6-dimethylquinolin-4-yl)sulfanylacetamide
CID 3141494
2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 42992721
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
CID 24818728
2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3141496
N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 25251093

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-4-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(2-methylquinolin-4-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide (CID 5410271) is 2-(2-methylquinolin-4-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(2-methylquinolin-4-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(2-methylquinolin-4-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is Cc1cc(SCC(=O)N/N=C\c2cccnc2)c2ccccc2n1.
What is the InChIKey of 2-(2-methylquinolin-4-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
The InChIKey is LTMDTFOGGNFMQO-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-13-9-17(15-6-2-3-7-16(15)21-13)24-12-18(23)22-20-11-14-5-4-8-19-10-14/h2-11H,12H2,1H3,(H,22,23)/b20-11-.
What are the key properties of 2-(2-methylquinolin-4-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
2-(2-methylquinolin-4-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide has a molecular weight of 336.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-4-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 5410271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).