(Z)-2-hydroxy-3-quinolin-2-ylprop-2-enoic acid

C12H9NO3 — CID 136678191

IUPAC(Z)-2-hydroxy-3-quinolin-2-ylprop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1ccc2ccccc2n1
InChIInChI=1S/C12H9NO3/c14-11(12(15)16)7-9-6-5-8-3-1-2-4-10(8)13-9/h1-7,14H,(H,15,16)/b11-7-
InChIKeyPQZOUJKJYOMYQY-XFFZJAGNSA-N
MW215.21 g/mol
LogP2.22
Rot. Bonds2

About (Z)-2-hydroxy-3-quinolin-2-ylprop-2-enoic acid

(Z)-2-hydroxy-3-quinolin-2-ylprop-2-enoic acid (PubChem CID 136678191) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is (Z)-2-hydroxy-3-quinolin-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-hydroxy-3-quinolin-2-ylprop-2-enoic acid
PubChem CID136678191
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name(Z)-2-hydroxy-3-quinolin-2-ylprop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1ccc2ccccc2n1
InChIInChI=1S/C12H9NO3/c14-11(12(15)16)7-9-6-5-8-3-1-2-4-10(8)13-9/h1-7,14H,(H,15,16)/b11-7-
InChIKeyPQZOUJKJYOMYQY-XFFZJAGNSA-N
XLogP2.22
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-3-quinolin-2-ylprop-2-enoic acid?
The IUPAC name of (Z)-2-hydroxy-3-quinolin-2-ylprop-2-enoic acid (CID 136678191) is (Z)-2-hydroxy-3-quinolin-2-ylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-hydroxy-3-quinolin-2-ylprop-2-enoic acid?
The canonical SMILES for (Z)-2-hydroxy-3-quinolin-2-ylprop-2-enoic acid is O=C(O)/C(O)=C/c1ccc2ccccc2n1.
What is the InChIKey of (Z)-2-hydroxy-3-quinolin-2-ylprop-2-enoic acid?
The InChIKey is PQZOUJKJYOMYQY-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H9NO3/c14-11(12(15)16)7-9-6-5-8-3-1-2-4-10(8)13-9/h1-7,14H,(H,15,16)/b11-7-.
What are the key properties of (Z)-2-hydroxy-3-quinolin-2-ylprop-2-enoic acid?
(Z)-2-hydroxy-3-quinolin-2-ylprop-2-enoic acid has a molecular weight of 215.21 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-3-quinolin-2-ylprop-2-enoic acid is sourced from PubChem (CID 136678191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).