(1E)-1-hydroxyimino-11-phenyl-3,4-dihydro-2H-benzo[b]quinolizin-6-one

C19H16N2O2 — CID 59305257

IUPAC(1E)-1-hydroxyimino-11-phenyl-3,4-dihydro-2H-benzo[b]quinolizin-6-one
SMILESO=c1c2ccccc2c(-c2ccccc2)c2n1CCC/C2=N\O
InChIInChI=1S/C19H16N2O2/c22-19-15-10-5-4-9-14(15)17(13-7-2-1-3-8-13)18-16(20-23)11-6-12-21(18)19/h1-5,7-10,23H,6,11-12H2/b20-16+
InChIKeyVXMAAOOXVZQTSG-CAPFRKAQSA-N
MW304.35 g/mol
LogP3.64
Rot. Bonds1

About (1E)-1-hydroxyimino-11-phenyl-3,4-dihydro-2H-benzo[b]quinolizin-6-one

(1E)-1-hydroxyimino-11-phenyl-3,4-dihydro-2H-benzo[b]quinolizin-6-one (PubChem CID 59305257) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (1E)-1-hydroxyimino-11-phenyl-3,4-dihydro-2H-benzo[b]quinolizin-6-one.

Molecular Properties

Compound Name(1E)-1-hydroxyimino-11-phenyl-3,4-dihydro-2H-benzo[b]quinolizin-6-one
PubChem CID59305257
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name(1E)-1-hydroxyimino-11-phenyl-3,4-dihydro-2H-benzo[b]quinolizin-6-one
SMILESO=c1c2ccccc2c(-c2ccccc2)c2n1CCC/C2=N\O
InChIInChI=1S/C19H16N2O2/c22-19-15-10-5-4-9-14(15)17(13-7-2-1-3-8-13)18-16(20-23)11-6-12-21(18)19/h1-5,7-10,23H,6,11-12H2/b20-16+
InChIKeyVXMAAOOXVZQTSG-CAPFRKAQSA-N
XLogP3.64
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1E)-1-hydroxyimino-11-phenyl-3,4-dihydro-2H-benzo[b]quinolizin-6-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 (1E)-1-hydroxyimino-11-phenyl-3,4-dihydro-2H-benzo[b]quinolizin-6-one?
The IUPAC name of (1E)-1-hydroxyimino-11-phenyl-3,4-dihydro-2H-benzo[b]quinolizin-6-one (CID 59305257) is (1E)-1-hydroxyimino-11-phenyl-3,4-dihydro-2H-benzo[b]quinolizin-6-one.
What is the SMILES notation for (1E)-1-hydroxyimino-11-phenyl-3,4-dihydro-2H-benzo[b]quinolizin-6-one?
The canonical SMILES for (1E)-1-hydroxyimino-11-phenyl-3,4-dihydro-2H-benzo[b]quinolizin-6-one is O=c1c2ccccc2c(-c2ccccc2)c2n1CCC/C2=N\O.
What is the InChIKey of (1E)-1-hydroxyimino-11-phenyl-3,4-dihydro-2H-benzo[b]quinolizin-6-one?
The InChIKey is VXMAAOOXVZQTSG-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-19-15-10-5-4-9-14(15)17(13-7-2-1-3-8-13)18-16(20-23)11-6-12-21(18)19/h1-5,7-10,23H,6,11-12H2/b20-16+.
What are the key properties of (1E)-1-hydroxyimino-11-phenyl-3,4-dihydro-2H-benzo[b]quinolizin-6-one?
(1E)-1-hydroxyimino-11-phenyl-3,4-dihydro-2H-benzo[b]quinolizin-6-one has a molecular weight of 304.35 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-hydroxyimino-11-phenyl-3,4-dihydro-2H-benzo[b]quinolizin-6-one is sourced from PubChem (CID 59305257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).