(8,14-dioxo-15-phenyl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-3-yl) acetate

C23H14N2O4 — CID 11111731

IUPAC(8,14-dioxo-15-phenyl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-3-yl) acetate
SMILESCC(=O)Oc1cccc2c1-c1nn(-c3ccccc3)c(=O)c3cccc(c13)C2=O
InChIInChI=1S/C23H14N2O4/c1-13(26)29-18-12-6-10-16-20(18)21-19-15(22(16)27)9-5-11-17(19)23(28)25(24-21)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyLOSALEVWYYRGIY-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.52
Rot. Bonds2

About (8,14-dioxo-15-phenyl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-3-yl) acetate

(8,14-dioxo-15-phenyl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-3-yl) acetate (PubChem CID 11111731) has the molecular formula C23H14N2O4 and a molecular weight of 382.38 g/mol. Its IUPAC name is (8,14-dioxo-15-phenyl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-3-yl) acetate.

Molecular Properties

Compound Name(8,14-dioxo-15-phenyl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-3-yl) acetate
PubChem CID11111731
Molecular FormulaC23H14N2O4
Molecular Weight382.38 g/mol
Exact Mass382.10
IUPAC Name(8,14-dioxo-15-phenyl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-3-yl) acetate
SMILESCC(=O)Oc1cccc2c1-c1nn(-c3ccccc3)c(=O)c3cccc(c13)C2=O
InChIInChI=1S/C23H14N2O4/c1-13(26)29-18-12-6-10-16-20(18)21-19-15(22(16)27)9-5-11-17(19)23(28)25(24-21)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyLOSALEVWYYRGIY-UHFFFAOYSA-N
XLogP3.52
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (8,14-dioxo-15-phenyl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-3-yl) acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8,14-dioxo-15-phenyl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-3-yl) acetate?
The IUPAC name of (8,14-dioxo-15-phenyl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-3-yl) acetate (CID 11111731) is (8,14-dioxo-15-phenyl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-3-yl) acetate.
What is the SMILES notation for (8,14-dioxo-15-phenyl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-3-yl) acetate?
The canonical SMILES for (8,14-dioxo-15-phenyl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-3-yl) acetate is CC(=O)Oc1cccc2c1-c1nn(-c3ccccc3)c(=O)c3cccc(c13)C2=O.
What is the InChIKey of (8,14-dioxo-15-phenyl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-3-yl) acetate?
The InChIKey is LOSALEVWYYRGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O4/c1-13(26)29-18-12-6-10-16-20(18)21-19-15(22(16)27)9-5-11-17(19)23(28)25(24-21)14-7-3-2-4-8-14/h2-12H,1H3.
What are the key properties of (8,14-dioxo-15-phenyl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-3-yl) acetate?
(8,14-dioxo-15-phenyl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-3-yl) acetate has a molecular weight of 382.38 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8,14-dioxo-15-phenyl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-3-yl) acetate is sourced from PubChem (CID 11111731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).