8,9-dihydroxy-5H-[1]benzofuro[3,2-c]quinolin-6-one

C15H9NO4 — CID 14523217

IUPAC8,9-dihydroxy-5H-[1]benzofuro[3,2-c]quinolin-6-one
SMILESO=c1[nH]c2ccccc2c2oc3cc(O)c(O)cc3c12
InChIInChI=1S/C15H9NO4/c17-10-5-8-12(6-11(10)18)20-14-7-3-1-2-4-9(7)16-15(19)13(8)14/h1-6,17-18H,(H,16,19)
InChIKeyNHLHIEVWZDBSKE-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.84
Rot. Bonds

About 8,9-dihydroxy-5H-[1]benzofuro[3,2-c]quinolin-6-one

8,9-dihydroxy-5H-[1]benzofuro[3,2-c]quinolin-6-one (PubChem CID 14523217) has the molecular formula C15H9NO4 and a molecular weight of 267.24 g/mol. Its IUPAC name is 8,9-dihydroxy-5H-[1]benzofuro[3,2-c]quinolin-6-one.

Molecular Properties

Compound Name8,9-dihydroxy-5H-[1]benzofuro[3,2-c]quinolin-6-one
PubChem CID14523217
Molecular FormulaC15H9NO4
Molecular Weight267.24 g/mol
Exact Mass267.05
IUPAC Name8,9-dihydroxy-5H-[1]benzofuro[3,2-c]quinolin-6-one
SMILESO=c1[nH]c2ccccc2c2oc3cc(O)c(O)cc3c12
InChIInChI=1S/C15H9NO4/c17-10-5-8-12(6-11(10)18)20-14-7-3-1-2-4-9(7)16-15(19)13(8)14/h1-6,17-18H,(H,16,19)
InChIKeyNHLHIEVWZDBSKE-UHFFFAOYSA-N
XLogP2.84
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 8,9-dihydroxy-5H-[1]benzofuro[3,2-c]quinolin-6-one?
The IUPAC name of 8,9-dihydroxy-5H-[1]benzofuro[3,2-c]quinolin-6-one (CID 14523217) is 8,9-dihydroxy-5H-[1]benzofuro[3,2-c]quinolin-6-one.
What is the SMILES notation for 8,9-dihydroxy-5H-[1]benzofuro[3,2-c]quinolin-6-one?
The canonical SMILES for 8,9-dihydroxy-5H-[1]benzofuro[3,2-c]quinolin-6-one is O=c1[nH]c2ccccc2c2oc3cc(O)c(O)cc3c12.
What is the InChIKey of 8,9-dihydroxy-5H-[1]benzofuro[3,2-c]quinolin-6-one?
The InChIKey is NHLHIEVWZDBSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO4/c17-10-5-8-12(6-11(10)18)20-14-7-3-1-2-4-9(7)16-15(19)13(8)14/h1-6,17-18H,(H,16,19).
What are the key properties of 8,9-dihydroxy-5H-[1]benzofuro[3,2-c]quinolin-6-one?
8,9-dihydroxy-5H-[1]benzofuro[3,2-c]quinolin-6-one has a molecular weight of 267.24 g/mol, XLogP of 2.84, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydroxy-5H-[1]benzofuro[3,2-c]quinolin-6-one is sourced from PubChem (CID 14523217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).