(3Z)-3-hydroxyimino-3-quinolin-3-ylpropanoic acid

C12H10N2O3 — CID 170871584

IUPAC(3Z)-3-hydroxyimino-3-quinolin-3-ylpropanoic acid
SMILESO=C(O)C/C(=N/O)c1cnc2ccccc2c1
InChIInChI=1S/C12H10N2O3/c15-12(16)6-11(14-17)9-5-8-3-1-2-4-10(8)13-7-9/h1-5,7,17H,6H2,(H,15,16)/b14-11-
InChIKeyLTXGEYQIOMAVIL-KAMYIIQDSA-N
MW230.22 g/mol
LogP1.89
Rot. Bonds3

About (3Z)-3-hydroxyimino-3-quinolin-3-ylpropanoic acid

(3Z)-3-hydroxyimino-3-quinolin-3-ylpropanoic acid (PubChem CID 170871584) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is (3Z)-3-hydroxyimino-3-quinolin-3-ylpropanoic acid.

Molecular Properties

Compound Name(3Z)-3-hydroxyimino-3-quinolin-3-ylpropanoic acid
PubChem CID170871584
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name(3Z)-3-hydroxyimino-3-quinolin-3-ylpropanoic acid
SMILESO=C(O)C/C(=N/O)c1cnc2ccccc2c1
InChIInChI=1S/C12H10N2O3/c15-12(16)6-11(14-17)9-5-8-3-1-2-4-10(8)13-7-9/h1-5,7,17H,6H2,(H,15,16)/b14-11-
InChIKeyLTXGEYQIOMAVIL-KAMYIIQDSA-N
XLogP1.89
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.89
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

carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
quinoline-3-carboxylate
CID 4608508
4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid
CID 71515447
N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
CID 171577203
quinoline-3-carboxamide;hydrofluoride
CID 174911514
3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid
CID 110489479
1-quinolin-3-ylprop-2-en-1-one
CID 103453657
3,3-dimethyl-1-quinolin-3-ylbutan-1-one
CID 63892352
2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one
CID 103446227
N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742
ethyl 3-oxo-3-quinolin-3-ylpropanoate
CID 22925293
N-(4-hydroxyphenyl)quinoline-3-carboxamide
CID 110489513

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-hydroxyimino-3-quinolin-3-ylpropanoic acid?
The IUPAC name of (3Z)-3-hydroxyimino-3-quinolin-3-ylpropanoic acid (CID 170871584) is (3Z)-3-hydroxyimino-3-quinolin-3-ylpropanoic acid.
What is the SMILES notation for (3Z)-3-hydroxyimino-3-quinolin-3-ylpropanoic acid?
The canonical SMILES for (3Z)-3-hydroxyimino-3-quinolin-3-ylpropanoic acid is O=C(O)C/C(=N/O)c1cnc2ccccc2c1.
What is the InChIKey of (3Z)-3-hydroxyimino-3-quinolin-3-ylpropanoic acid?
The InChIKey is LTXGEYQIOMAVIL-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-12(16)6-11(14-17)9-5-8-3-1-2-4-10(8)13-7-9/h1-5,7,17H,6H2,(H,15,16)/b14-11-.
What are the key properties of (3Z)-3-hydroxyimino-3-quinolin-3-ylpropanoic acid?
(3Z)-3-hydroxyimino-3-quinolin-3-ylpropanoic acid has a molecular weight of 230.22 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-hydroxyimino-3-quinolin-3-ylpropanoic acid is sourced from PubChem (CID 170871584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).