3-(8-hydroxyquinolin-5-yl)prop-2-enoic acid

C12H9NO3 — CID 175924334

IUPAC3-(8-hydroxyquinolin-5-yl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(O)c2ncccc12
InChIInChI=1S/C12H9NO3/c14-10-5-3-8(4-6-11(15)16)9-2-1-7-13-12(9)10/h1-7,14H,(H,15,16)
InChIKeyQSSILVDEOMZFLL-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.04
Rot. Bonds2

About 3-(8-hydroxyquinolin-5-yl)prop-2-enoic acid

3-(8-hydroxyquinolin-5-yl)prop-2-enoic acid (PubChem CID 175924334) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3-(8-hydroxyquinolin-5-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(8-hydroxyquinolin-5-yl)prop-2-enoic acid
PubChem CID175924334
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name3-(8-hydroxyquinolin-5-yl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(O)c2ncccc12
InChIInChI=1S/C12H9NO3/c14-10-5-3-8(4-6-11(15)16)9-2-1-7-13-12(9)10/h1-7,14H,(H,15,16)
InChIKeyQSSILVDEOMZFLL-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,5-bis(8-hydroxyquinolin-5-yl)penta-1,4-dien-3-one
CID 139642586
CID 174887707
CID 174887707
8-hydroxyquinoline-5-carboxylic acid;hydrobromide
CID 122236270
5-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol iodide
CID 137221720
2-[2-(8-hydroxyquinolin-5-yl)ethenyl]-1-methylquinolin-1-ium-8-ol chloride
CID 137221718
5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide
CID 137221721
(E)-3-(4-formylnaphthalen-1-yl)prop-2-enoic acid
CID 59092286
3-(2,3,4-trihydroxyphenyl)prop-2-enoic acid
CID 71354565
(Z)-3-(2,3,4-trihydroxyphenyl)prop-2-enoic acid
CID 54583307
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
8-hydroxyquinoline-5-sulfonate
CID 5260546
(E)-3-[2-(azetidin-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 130547900

Frequently Asked Questions

What is the IUPAC name of 3-(8-hydroxyquinolin-5-yl)prop-2-enoic acid?
The IUPAC name of 3-(8-hydroxyquinolin-5-yl)prop-2-enoic acid (CID 175924334) is 3-(8-hydroxyquinolin-5-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(8-hydroxyquinolin-5-yl)prop-2-enoic acid?
The canonical SMILES for 3-(8-hydroxyquinolin-5-yl)prop-2-enoic acid is O=C(O)C=Cc1ccc(O)c2ncccc12.
What is the InChIKey of 3-(8-hydroxyquinolin-5-yl)prop-2-enoic acid?
The InChIKey is QSSILVDEOMZFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-10-5-3-8(4-6-11(15)16)9-2-1-7-13-12(9)10/h1-7,14H,(H,15,16).
What are the key properties of 3-(8-hydroxyquinolin-5-yl)prop-2-enoic acid?
3-(8-hydroxyquinolin-5-yl)prop-2-enoic acid has a molecular weight of 215.21 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-hydroxyquinolin-5-yl)prop-2-enoic acid is sourced from PubChem (CID 175924334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).