14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione

C22H13NO3 — CID 102326334

IUPAC14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione
SMILESO=c1oc(-c2ccccc2)cc2c(=O)n3ccc4ccccc4c3cc12
InChIInChI=1S/C22H13NO3/c24-21-17-13-20(15-7-2-1-3-8-15)26-22(25)18(17)12-19-16-9-5-4-6-14(16)10-11-23(19)21/h1-13H
InChIKeyNGYYJAPHBCCHEG-UHFFFAOYSA-N
MW339.35 g/mol
LogP4.23
Rot. Bonds1

About 14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione

14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione (PubChem CID 102326334) has the molecular formula C22H13NO3 and a molecular weight of 339.35 g/mol. Its IUPAC name is 14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione.

Molecular Properties

Compound Name14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione
PubChem CID102326334
Molecular FormulaC22H13NO3
Molecular Weight339.35 g/mol
Exact Mass339.09
IUPAC Name14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione
SMILESO=c1oc(-c2ccccc2)cc2c(=O)n3ccc4ccccc4c3cc12
InChIInChI=1S/C22H13NO3/c24-21-17-13-20(15-7-2-1-3-8-15)26-22(25)18(17)12-19-16-9-5-4-6-14(16)10-11-23(19)21/h1-13H
InChIKeyNGYYJAPHBCCHEG-UHFFFAOYSA-N
XLogP4.23
TPSA51.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione?
The IUPAC name of 14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione (CID 102326334) is 14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione.
What is the SMILES notation for 14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione?
The canonical SMILES for 14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione is O=c1oc(-c2ccccc2)cc2c(=O)n3ccc4ccccc4c3cc12.
What is the InChIKey of 14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione?
The InChIKey is NGYYJAPHBCCHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13NO3/c24-21-17-13-20(15-7-2-1-3-8-15)26-22(25)18(17)12-19-16-9-5-4-6-14(16)10-11-23(19)21/h1-13H.
What are the key properties of 14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione?
14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione has a molecular weight of 339.35 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione is sourced from PubChem (CID 102326334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).