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

C16H23N3O — CID 9258094

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-pentan-2-ylideneamino]acetamide
SMILESCCC/C(C)=N\NC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C16H23N3O/c1-3-7-13(2)17-18-16(20)12-19-11-6-9-14-8-4-5-10-15(14)19/h4-5,8,10H,3,6-7,9,11-12H2,1-2H3,(H,18,20)/b17-13-
InChIKeyMYNSPRULUUGSOV-LGMDPLHJSA-N
MW273.38 g/mol
LogP2.73
Rot. Bonds5

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

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-pentan-2-ylideneamino]acetamide (PubChem CID 9258094) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-pentan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-pentan-2-ylideneamino]acetamide
PubChem CID9258094
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-pentan-2-ylideneamino]acetamide
SMILESCCC/C(C)=N\NC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C16H23N3O/c1-3-7-13(2)17-18-16(20)12-19-11-6-9-14-8-4-5-10-15(14)19/h4-5,8,10H,3,6-7,9,11-12H2,1-2H3,(H,18,20)/b17-13-
InChIKeyMYNSPRULUUGSOV-LGMDPLHJSA-N
XLogP2.73
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 9258315
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide
CID 135763363
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
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)acetohydrazide
CID 2327118
N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 4092454
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide
CID 9258499
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
CID 28866702
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-(3,4-dimethylphenyl)acetamide
CID 2099393
N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817003
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 46657943

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-pentan-2-ylideneamino]acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-pentan-2-ylideneamino]acetamide (CID 9258094) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-pentan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-pentan-2-ylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-pentan-2-ylideneamino]acetamide is CCC/C(C)=N\NC(=O)CN1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-pentan-2-ylideneamino]acetamide?
The InChIKey is MYNSPRULUUGSOV-LGMDPLHJSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-7-13(2)17-18-16(20)12-19-11-6-9-14-8-4-5-10-15(14)19/h4-5,8,10H,3,6-7,9,11-12H2,1-2H3,(H,18,20)/b17-13-.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-pentan-2-ylideneamino]acetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-pentan-2-ylideneamino]acetamide has a molecular weight of 273.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-pentan-2-ylideneamino]acetamide is sourced from PubChem (CID 9258094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).