2-(quinolin-4-ylmethylideneamino)oxyacetic acid

C12H10N2O3 — CID 77013302

IUPAC2-(quinolin-4-ylmethylideneamino)oxyacetic acid
SMILESO=C(O)CON=Cc1ccnc2ccccc12
InChIInChI=1S/C12H10N2O3/c15-12(16)8-17-14-7-9-5-6-13-11-4-2-1-3-10(9)11/h1-7H,8H2,(H,15,16)
InChIKeySWLFAEJAAIHHOS-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.67
Rot. Bonds4

About 2-(quinolin-4-ylmethylideneamino)oxyacetic acid

2-(quinolin-4-ylmethylideneamino)oxyacetic acid (PubChem CID 77013302) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-(quinolin-4-ylmethylideneamino)oxyacetic acid.

Molecular Properties

Compound Name2-(quinolin-4-ylmethylideneamino)oxyacetic acid
PubChem CID77013302
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-(quinolin-4-ylmethylideneamino)oxyacetic acid
SMILESO=C(O)CON=Cc1ccnc2ccccc12
InChIInChI=1S/C12H10N2O3/c15-12(16)8-17-14-7-9-5-6-13-11-4-2-1-3-10(9)11/h1-7H,8H2,(H,15,16)
InChIKeySWLFAEJAAIHHOS-UHFFFAOYSA-N
XLogP1.67
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.67
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-(naphthalen-1-ylmethylideneamino)oxyacetic acid
CID 78953890
1-[2-[(E)-quinolin-4-ylmethylideneamino]oxyethyl]piperidine-3-carboxylic acid
CID 155531905
N-methyl-1-quinolin-4-ylmethanimine
CID 119086177
2-[(2-bromophenyl)methylideneamino]oxyacetic acid
CID 2336636
methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate
CID 5354484
2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid
CID 107936789
2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid
CID 20846182
N-(quinolin-4-ylmethylideneamino)formamide
CID 73233132
2-(pyrimidin-4-ylmethylideneamino)oxyacetic acid
CID 77014531
4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate
CID 7732012
N-methyl-N-[(Z)-quinolin-4-ylmethylideneamino]aniline
CID 6179003
4-quinolin-4-ylbut-3-enamide
CID 170798108

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-4-ylmethylideneamino)oxyacetic acid?
The IUPAC name of 2-(quinolin-4-ylmethylideneamino)oxyacetic acid (CID 77013302) is 2-(quinolin-4-ylmethylideneamino)oxyacetic acid.
What is the SMILES notation for 2-(quinolin-4-ylmethylideneamino)oxyacetic acid?
The canonical SMILES for 2-(quinolin-4-ylmethylideneamino)oxyacetic acid is O=C(O)CON=Cc1ccnc2ccccc12.
What is the InChIKey of 2-(quinolin-4-ylmethylideneamino)oxyacetic acid?
The InChIKey is SWLFAEJAAIHHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-12(16)8-17-14-7-9-5-6-13-11-4-2-1-3-10(9)11/h1-7H,8H2,(H,15,16).
What are the key properties of 2-(quinolin-4-ylmethylideneamino)oxyacetic acid?
2-(quinolin-4-ylmethylideneamino)oxyacetic acid has a molecular weight of 230.22 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-4-ylmethylideneamino)oxyacetic acid is sourced from PubChem (CID 77013302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).