12-hydroxy-10-phenyl-4-oxa-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraen-13-one

C17H14N2O3 — CID 10266439

IUPAC12-hydroxy-10-phenyl-4-oxa-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraen-13-one
SMILESO=C1C(O)N=C(c2ccccc2)c2cccc3c2N1CCO3
InChIInChI=1S/C17H14N2O3/c20-16-17(21)19-9-10-22-13-8-4-7-12(15(13)19)14(18-16)11-5-2-1-3-6-11/h1-8,16,20H,9-10H2
InChIKeyXLESVDMSGAXRMN-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.58
Rot. Bonds1

About 12-hydroxy-10-phenyl-4-oxa-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraen-13-one

12-hydroxy-10-phenyl-4-oxa-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraen-13-one (PubChem CID 10266439) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 12-hydroxy-10-phenyl-4-oxa-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraen-13-one.

Molecular Properties

Compound Name12-hydroxy-10-phenyl-4-oxa-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraen-13-one
PubChem CID10266439
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name12-hydroxy-10-phenyl-4-oxa-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraen-13-one
SMILESO=C1C(O)N=C(c2ccccc2)c2cccc3c2N1CCO3
InChIInChI=1S/C17H14N2O3/c20-16-17(21)19-9-10-22-13-8-4-7-12(15(13)19)14(18-16)11-5-2-1-3-6-11/h1-8,16,20H,9-10H2
InChIKeyXLESVDMSGAXRMN-UHFFFAOYSA-N
XLogP1.58
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 12-hydroxy-10-phenyl-4-oxa-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraen-13-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 12-hydroxy-10-phenyl-4-oxa-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraen-13-one?
The IUPAC name of 12-hydroxy-10-phenyl-4-oxa-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraen-13-one (CID 10266439) is 12-hydroxy-10-phenyl-4-oxa-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraen-13-one.
What is the SMILES notation for 12-hydroxy-10-phenyl-4-oxa-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraen-13-one?
The canonical SMILES for 12-hydroxy-10-phenyl-4-oxa-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraen-13-one is O=C1C(O)N=C(c2ccccc2)c2cccc3c2N1CCO3.
What is the InChIKey of 12-hydroxy-10-phenyl-4-oxa-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraen-13-one?
The InChIKey is XLESVDMSGAXRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-16-17(21)19-9-10-22-13-8-4-7-12(15(13)19)14(18-16)11-5-2-1-3-6-11/h1-8,16,20H,9-10H2.
What are the key properties of 12-hydroxy-10-phenyl-4-oxa-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraen-13-one?
12-hydroxy-10-phenyl-4-oxa-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraen-13-one has a molecular weight of 294.31 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxy-10-phenyl-4-oxa-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraen-13-one is sourced from PubChem (CID 10266439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).