7,8-dihydroxy-2-phenyl-1H-quinolin-4-one

C15H11NO3 — CID 44624790

IUPAC7,8-dihydroxy-2-phenyl-1H-quinolin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2c(O)c(O)ccc12
InChIInChI=1S/C15H11NO3/c17-12-7-6-10-13(18)8-11(16-14(10)15(12)19)9-4-2-1-3-5-9/h1-8,17,19H,(H,16,18)
InChIKeyQHGCZPZUWMQJHA-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.61
Rot. Bonds1

About 7,8-dihydroxy-2-phenyl-1H-quinolin-4-one

7,8-dihydroxy-2-phenyl-1H-quinolin-4-one (PubChem CID 44624790) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 7,8-dihydroxy-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7,8-dihydroxy-2-phenyl-1H-quinolin-4-one
PubChem CID44624790
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name7,8-dihydroxy-2-phenyl-1H-quinolin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2c(O)c(O)ccc12
InChIInChI=1S/C15H11NO3/c17-12-7-6-10-13(18)8-11(16-14(10)15(12)19)9-4-2-1-3-5-9/h1-8,17,19H,(H,16,18)
InChIKeyQHGCZPZUWMQJHA-UHFFFAOYSA-N
XLogP2.61
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.61
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 7,8-dihydroxy-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 7,8-dihydroxy-2-phenyl-1H-quinolin-4-one (CID 44624790) is 7,8-dihydroxy-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 7,8-dihydroxy-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 7,8-dihydroxy-2-phenyl-1H-quinolin-4-one is O=c1cc(-c2ccccc2)[nH]c2c(O)c(O)ccc12.
What is the InChIKey of 7,8-dihydroxy-2-phenyl-1H-quinolin-4-one?
The InChIKey is QHGCZPZUWMQJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-12-7-6-10-13(18)8-11(16-14(10)15(12)19)9-4-2-1-3-5-9/h1-8,17,19H,(H,16,18).
What are the key properties of 7,8-dihydroxy-2-phenyl-1H-quinolin-4-one?
7,8-dihydroxy-2-phenyl-1H-quinolin-4-one has a molecular weight of 253.26 g/mol, XLogP of 2.61, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydroxy-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 44624790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).