(2E)-2-hydroxyimino-N-quinolin-5-ylacetamide

C11H9N3O2 — CID 17388517

IUPAC(2E)-2-hydroxyimino-N-quinolin-5-ylacetamide
SMILESO=C(/C=N/O)Nc1cccc2ncccc12
InChIInChI=1S/C11H9N3O2/c15-11(7-13-16)14-10-5-1-4-9-8(10)3-2-6-12-9/h1-7,16H,(H,14,15)/b13-7+
InChIKeyKLJBOVFRYQONJT-NTUHNPAUSA-N
MW215.21 g/mol
LogP1.63
Rot. Bonds2

About (2E)-2-hydroxyimino-N-quinolin-5-ylacetamide

(2E)-2-hydroxyimino-N-quinolin-5-ylacetamide (PubChem CID 17388517) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-quinolin-5-ylacetamide
PubChem CID17388517
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name(2E)-2-hydroxyimino-N-quinolin-5-ylacetamide
SMILESO=C(/C=N/O)Nc1cccc2ncccc12
InChIInChI=1S/C11H9N3O2/c15-11(7-13-16)14-10-5-1-4-9-8(10)3-2-6-12-9/h1-7,16H,(H,14,15)/b13-7+
InChIKeyKLJBOVFRYQONJT-NTUHNPAUSA-N
XLogP1.63
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyimino-N-naphthalen-1-ylacetamide
CID 53426995
methyl N-quinolin-5-ylcarbamate
CID 110734012
(E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide
CID 952560
(E)-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide
CID 874993
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
3,3-dimethyl-N-quinolin-5-ylbutanamide
CID 24654624
2-chloro-N-quinolin-5-ylacetamide;hydrochloride
CID 155943918
CID 73213052
CID 73213052
N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343
2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid
CID 103496081
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
quinolin-5-ylthiourea
CID 1471601

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-N-quinolin-5-ylacetamide?
The IUPAC name of (2E)-2-hydroxyimino-N-quinolin-5-ylacetamide (CID 17388517) is (2E)-2-hydroxyimino-N-quinolin-5-ylacetamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N-quinolin-5-ylacetamide?
The canonical SMILES for (2E)-2-hydroxyimino-N-quinolin-5-ylacetamide is O=C(/C=N/O)Nc1cccc2ncccc12.
What is the InChIKey of (2E)-2-hydroxyimino-N-quinolin-5-ylacetamide?
The InChIKey is KLJBOVFRYQONJT-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-11(7-13-16)14-10-5-1-4-9-8(10)3-2-6-12-9/h1-7,16H,(H,14,15)/b13-7+.
What are the key properties of (2E)-2-hydroxyimino-N-quinolin-5-ylacetamide?
(2E)-2-hydroxyimino-N-quinolin-5-ylacetamide has a molecular weight of 215.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N-quinolin-5-ylacetamide is sourced from PubChem (CID 17388517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).