(11Z)-12-(3-hydroxyphenyl)-10H-benzo[d][1,2]benzodiazocin-5-one

C20H14N2O2 — CID 171977820

IUPAC(11Z)-12-(3-hydroxyphenyl)-10H-benzo[d][1,2]benzodiazocin-5-one
SMILESO=C1c2ccccc2N/N=C(/c2cccc(O)c2)c2ccccc21
InChIInChI=1S/C20H14N2O2/c23-14-7-5-6-13(12-14)19-15-8-1-2-9-16(15)20(24)17-10-3-4-11-18(17)21-22-19/h1-12,21,23H/b22-19-
InChIKeyVZOCVPGYJBXMLW-QOCHGBHMSA-N
MW314.34 g/mol
LogP3.80
Rot. Bonds1

About (11Z)-12-(3-hydroxyphenyl)-10H-benzo[d][1,2]benzodiazocin-5-one

(11Z)-12-(3-hydroxyphenyl)-10H-benzo[d][1,2]benzodiazocin-5-one (PubChem CID 171977820) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is (11Z)-12-(3-hydroxyphenyl)-10H-benzo[d][1,2]benzodiazocin-5-one.

Molecular Properties

Compound Name(11Z)-12-(3-hydroxyphenyl)-10H-benzo[d][1,2]benzodiazocin-5-one
PubChem CID171977820
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name(11Z)-12-(3-hydroxyphenyl)-10H-benzo[d][1,2]benzodiazocin-5-one
SMILESO=C1c2ccccc2N/N=C(/c2cccc(O)c2)c2ccccc21
InChIInChI=1S/C20H14N2O2/c23-14-7-5-6-13(12-14)19-15-8-1-2-9-16(15)20(24)17-10-3-4-11-18(17)21-22-19/h1-12,21,23H/b22-19-
InChIKeyVZOCVPGYJBXMLW-QOCHGBHMSA-N
XLogP3.80
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (11Z)-12-(3-hydroxyphenyl)-10H-benzo[d][1,2]benzodiazocin-5-one?
The IUPAC name of (11Z)-12-(3-hydroxyphenyl)-10H-benzo[d][1,2]benzodiazocin-5-one (CID 171977820) is (11Z)-12-(3-hydroxyphenyl)-10H-benzo[d][1,2]benzodiazocin-5-one.
What is the SMILES notation for (11Z)-12-(3-hydroxyphenyl)-10H-benzo[d][1,2]benzodiazocin-5-one?
The canonical SMILES for (11Z)-12-(3-hydroxyphenyl)-10H-benzo[d][1,2]benzodiazocin-5-one is O=C1c2ccccc2N/N=C(/c2cccc(O)c2)c2ccccc21.
What is the InChIKey of (11Z)-12-(3-hydroxyphenyl)-10H-benzo[d][1,2]benzodiazocin-5-one?
The InChIKey is VZOCVPGYJBXMLW-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-14-7-5-6-13(12-14)19-15-8-1-2-9-16(15)20(24)17-10-3-4-11-18(17)21-22-19/h1-12,21,23H/b22-19-.
What are the key properties of (11Z)-12-(3-hydroxyphenyl)-10H-benzo[d][1,2]benzodiazocin-5-one?
(11Z)-12-(3-hydroxyphenyl)-10H-benzo[d][1,2]benzodiazocin-5-one has a molecular weight of 314.34 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-12-(3-hydroxyphenyl)-10H-benzo[d][1,2]benzodiazocin-5-one is sourced from PubChem (CID 171977820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).