2-hydroxyimino-3-quinolin-4-ylpropanoic acid

C12H10N2O3 — CID 6712945

IUPAC2-hydroxyimino-3-quinolin-4-ylpropanoic acid
SMILESO=C(O)C(Cc1ccnc2ccccc12)=NO
InChIInChI=1S/C12H10N2O3/c15-12(16)11(14-17)7-8-5-6-13-10-4-2-1-3-9(8)10/h1-6,17H,7H2,(H,15,16)
InChIKeyRQUIQZCARLEUHE-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.69
Rot. Bonds3

About 2-hydroxyimino-3-quinolin-4-ylpropanoic acid

2-hydroxyimino-3-quinolin-4-ylpropanoic acid (PubChem CID 6712945) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-hydroxyimino-3-quinolin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-hydroxyimino-3-quinolin-4-ylpropanoic acid
PubChem CID6712945
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-hydroxyimino-3-quinolin-4-ylpropanoic acid
SMILESO=C(O)C(Cc1ccnc2ccccc12)=NO
InChIInChI=1S/C12H10N2O3/c15-12(16)11(14-17)7-8-5-6-13-10-4-2-1-3-9(8)10/h1-6,17H,7H2,(H,15,16)
InChIKeyRQUIQZCARLEUHE-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-3-quinolin-4-ylpropanoic acid?
The IUPAC name of 2-hydroxyimino-3-quinolin-4-ylpropanoic acid (CID 6712945) is 2-hydroxyimino-3-quinolin-4-ylpropanoic acid.
What is the SMILES notation for 2-hydroxyimino-3-quinolin-4-ylpropanoic acid?
The canonical SMILES for 2-hydroxyimino-3-quinolin-4-ylpropanoic acid is O=C(O)C(Cc1ccnc2ccccc12)=NO.
What is the InChIKey of 2-hydroxyimino-3-quinolin-4-ylpropanoic acid?
The InChIKey is RQUIQZCARLEUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-12(16)11(14-17)7-8-5-6-13-10-4-2-1-3-9(8)10/h1-6,17H,7H2,(H,15,16).
What are the key properties of 2-hydroxyimino-3-quinolin-4-ylpropanoic acid?
2-hydroxyimino-3-quinolin-4-ylpropanoic acid has a molecular weight of 230.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-3-quinolin-4-ylpropanoic acid is sourced from PubChem (CID 6712945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).