2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-1H-quinolin-4-one

C15H11NO5 — CID 71254620

IUPAC2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-1H-quinolin-4-one
SMILESO=c1c(O)c(-c2ccc(O)c(O)c2)[nH]c2cccc(O)c12
InChIInChI=1S/C15H11NO5/c17-9-5-4-7(6-11(9)19)13-15(21)14(20)12-8(16-13)2-1-3-10(12)18/h1-6,17-19,21H,(H,16,20)
InChIKeyLIEFKEAFIZVXEW-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.02
Rot. Bonds1

About 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-1H-quinolin-4-one

2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-1H-quinolin-4-one (PubChem CID 71254620) has the molecular formula C15H11NO5 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-1H-quinolin-4-one
PubChem CID71254620
Molecular FormulaC15H11NO5
Molecular Weight285.26 g/mol
Exact Mass285.06
IUPAC Name2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-1H-quinolin-4-one
SMILESO=c1c(O)c(-c2ccc(O)c(O)c2)[nH]c2cccc(O)c12
InChIInChI=1S/C15H11NO5/c17-9-5-4-7(6-11(9)19)13-15(21)14(20)12-8(16-13)2-1-3-10(12)18/h1-6,17-19,21H,(H,16,20)
InChIKeyLIEFKEAFIZVXEW-UHFFFAOYSA-N
XLogP2.02
TPSA113.78 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-1H-quinolin-4-one?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-1H-quinolin-4-one (CID 71254620) is 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-1H-quinolin-4-one.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-1H-quinolin-4-one?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-1H-quinolin-4-one is O=c1c(O)c(-c2ccc(O)c(O)c2)[nH]c2cccc(O)c12.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-1H-quinolin-4-one?
The InChIKey is LIEFKEAFIZVXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5/c17-9-5-4-7(6-11(9)19)13-15(21)14(20)12-8(16-13)2-1-3-10(12)18/h1-6,17-19,21H,(H,16,20).
What are the key properties of 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-1H-quinolin-4-one?
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-1H-quinolin-4-one has a molecular weight of 285.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-1H-quinolin-4-one is sourced from PubChem (CID 71254620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).