2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide

C17H19N3OS — CID 9258315

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CN1CCCc2ccccc21)c1cccs1
InChIInChI=1S/C17H19N3OS/c1-13(16-9-5-11-22-16)18-19-17(21)12-20-10-4-7-14-6-2-3-8-15(14)20/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,19,21)/b18-13-
InChIKeyBQHICOSEDNPLAJ-AQTBWJFISA-N
MW313.43 g/mol
LogP3.04
Rot. Bonds4

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide (PubChem CID 9258315) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
PubChem CID9258315
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CN1CCCc2ccccc21)c1cccs1
InChIInChI=1S/C17H19N3OS/c1-13(16-9-5-11-22-16)18-19-17(21)12-20-10-4-7-14-6-2-3-8-15(14)20/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,19,21)/b18-13-
InChIKeyBQHICOSEDNPLAJ-AQTBWJFISA-N
XLogP3.04
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide
CID 135763363
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-pentan-2-ylideneamino]acetamide
CID 9258094
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 9258468
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46613984
2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 17080231
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 4092454
2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22200108
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885
4-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 9258347
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide
CID 9258499

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide (CID 9258315) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide is C/C(=N/NC(=O)CN1CCCc2ccccc21)c1cccs1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The InChIKey is BQHICOSEDNPLAJ-AQTBWJFISA-N. The full InChI is InChI=1S/C17H19N3OS/c1-13(16-9-5-11-22-16)18-19-17(21)12-20-10-4-7-14-6-2-3-8-15(14)20/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,19,21)/b18-13-.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide has a molecular weight of 313.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide is sourced from PubChem (CID 9258315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).