6,7-dihydroxy-1H-quinolin-4-one

C9H7NO3 — CID 19831784

IUPAC6,7-dihydroxy-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(O)c(O)cc12
InChIInChI=1S/C9H7NO3/c11-7-1-2-10-6-4-9(13)8(12)3-5(6)7/h1-4,12-13H,(H,10,11)
InChIKeyKWDRQDVGVQQQAR-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.94
Rot. Bonds

About 6,7-dihydroxy-1H-quinolin-4-one

6,7-dihydroxy-1H-quinolin-4-one (PubChem CID 19831784) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6,7-dihydroxy-1H-quinolin-4-one.

Molecular Properties

Compound Name6,7-dihydroxy-1H-quinolin-4-one
PubChem CID19831784
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name6,7-dihydroxy-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(O)c(O)cc12
InChIInChI=1S/C9H7NO3/c11-7-1-2-10-6-4-9(13)8(12)3-5(6)7/h1-4,12-13H,(H,10,11)
InChIKeyKWDRQDVGVQQQAR-UHFFFAOYSA-N
XLogP0.94
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroxy-1H-quinolin-4-one?
The IUPAC name of 6,7-dihydroxy-1H-quinolin-4-one (CID 19831784) is 6,7-dihydroxy-1H-quinolin-4-one.
What is the SMILES notation for 6,7-dihydroxy-1H-quinolin-4-one?
The canonical SMILES for 6,7-dihydroxy-1H-quinolin-4-one is O=c1cc[nH]c2cc(O)c(O)cc12.
What is the InChIKey of 6,7-dihydroxy-1H-quinolin-4-one?
The InChIKey is KWDRQDVGVQQQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c11-7-1-2-10-6-4-9(13)8(12)3-5(6)7/h1-4,12-13H,(H,10,11).
What are the key properties of 6,7-dihydroxy-1H-quinolin-4-one?
6,7-dihydroxy-1H-quinolin-4-one has a molecular weight of 177.16 g/mol, XLogP of 0.94, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroxy-1H-quinolin-4-one is sourced from PubChem (CID 19831784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).