N-[(E)-1-phenylethylideneamino]-2-quinolin-8-yloxyacetamide

C19H17N3O2 — CID 50905618

IUPACN-[(E)-1-phenylethylideneamino]-2-quinolin-8-yloxyacetamide
SMILESC/C(=N\NC(=O)COc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C19H17N3O2/c1-14(15-7-3-2-4-8-15)21-22-18(23)13-24-17-11-5-9-16-10-6-12-20-19(16)17/h2-12H,13H2,1H3,(H,22,23)/b21-14+
InChIKeyJHRZDUADAQKYSQ-KGENOOAVSA-N
MW319.36 g/mol
LogP3.15
Rot. Bonds5

About N-[(E)-1-phenylethylideneamino]-2-quinolin-8-yloxyacetamide

N-[(E)-1-phenylethylideneamino]-2-quinolin-8-yloxyacetamide (PubChem CID 50905618) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(E)-1-phenylethylideneamino]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-[(E)-1-phenylethylideneamino]-2-quinolin-8-yloxyacetamide
PubChem CID50905618
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[(E)-1-phenylethylideneamino]-2-quinolin-8-yloxyacetamide
SMILESC/C(=N\NC(=O)COc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C19H17N3O2/c1-14(15-7-3-2-4-8-15)21-22-18(23)13-24-17-11-5-9-16-10-6-12-20-19(16)17/h2-12H,13H2,1H3,(H,22,23)/b21-14+
InChIKeyJHRZDUADAQKYSQ-KGENOOAVSA-N
XLogP3.15
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.15
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

8-Acetoxyquinoline
CID 75777
2-[(6-methoxy-2-methyl-4-quinolyl)oxy]-N-(2-methoxyphenyl)acetamide
CID 70685044
8-Quinolyl N-(2-methoxyphenyl)carbamate
CID 3329723
8-Methoxyquinoline
CID 70310
8-Ethoxyquinoline
CID 73781
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
(R)-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2-(quinolin-8-yloxy)acetamide
CID 90241758
[3-(1H-Indol-3-yl)-propyl]-[2-(quinolin-8-yloxy)-ethyl]-amine
CID 9906183
7-isoquinolin-4-yl-4H-1,4-benzoxazin-3-one
CID 44480386
8-quinolyl (2Z)-3-phenylprop-2-enoate
CID 1550199
N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
CID 70682976
2-(4-fluorophenoxy)-N'-(8-quinolinylmethylene)acetohydrazide
CID 6895257

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-phenylethylideneamino]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-[(E)-1-phenylethylideneamino]-2-quinolin-8-yloxyacetamide (CID 50905618) is N-[(E)-1-phenylethylideneamino]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-[(E)-1-phenylethylideneamino]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-[(E)-1-phenylethylideneamino]-2-quinolin-8-yloxyacetamide is C/C(=N\NC(=O)COc1cccc2cccnc12)c1ccccc1.
What is the InChIKey of N-[(E)-1-phenylethylideneamino]-2-quinolin-8-yloxyacetamide?
The InChIKey is JHRZDUADAQKYSQ-KGENOOAVSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-14(15-7-3-2-4-8-15)21-22-18(23)13-24-17-11-5-9-16-10-6-12-20-19(16)17/h2-12H,13H2,1H3,(H,22,23)/b21-14+.
What are the key properties of N-[(E)-1-phenylethylideneamino]-2-quinolin-8-yloxyacetamide?
N-[(E)-1-phenylethylideneamino]-2-quinolin-8-yloxyacetamide has a molecular weight of 319.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenylethylideneamino]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 50905618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).