ethyl 2-(12,14-dioxo-10-phenyl-9,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaen-13-yl)acetate

C23H18N2O4 — CID 20855117

IUPACethyl 2-(12,14-dioxo-10-phenyl-9,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaen-13-yl)acetate
SMILESCCOC(=O)CN1C(=O)c2c(c3n(c2-c2ccccc2)Cc2ccccc2-3)C1=O
InChIInChI=1S/C23H18N2O4/c1-2-29-17(26)13-25-22(27)18-19(23(25)28)21-16-11-7-6-10-15(16)12-24(21)20(18)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKeyLGMCCXRXVJPWTE-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.34
Rot. Bonds4

About ethyl 2-(12,14-dioxo-10-phenyl-9,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaen-13-yl)acetate

ethyl 2-(12,14-dioxo-10-phenyl-9,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaen-13-yl)acetate (PubChem CID 20855117) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is ethyl 2-(12,14-dioxo-10-phenyl-9,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaen-13-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(12,14-dioxo-10-phenyl-9,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaen-13-yl)acetate
PubChem CID20855117
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Nameethyl 2-(12,14-dioxo-10-phenyl-9,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaen-13-yl)acetate
SMILESCCOC(=O)CN1C(=O)c2c(c3n(c2-c2ccccc2)Cc2ccccc2-3)C1=O
InChIInChI=1S/C23H18N2O4/c1-2-29-17(26)13-25-22(27)18-19(23(25)28)21-16-11-7-6-10-15(16)12-24(21)20(18)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKeyLGMCCXRXVJPWTE-UHFFFAOYSA-N
XLogP3.34
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-(12,14-dioxo-10-phenyl-9,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaen-13-yl)acetate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(12,14-dioxo-10-phenyl-9,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaen-13-yl)acetate?
The IUPAC name of ethyl 2-(12,14-dioxo-10-phenyl-9,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaen-13-yl)acetate (CID 20855117) is ethyl 2-(12,14-dioxo-10-phenyl-9,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaen-13-yl)acetate.
What is the SMILES notation for ethyl 2-(12,14-dioxo-10-phenyl-9,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaen-13-yl)acetate?
The canonical SMILES for ethyl 2-(12,14-dioxo-10-phenyl-9,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaen-13-yl)acetate is CCOC(=O)CN1C(=O)c2c(c3n(c2-c2ccccc2)Cc2ccccc2-3)C1=O.
What is the InChIKey of ethyl 2-(12,14-dioxo-10-phenyl-9,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaen-13-yl)acetate?
The InChIKey is LGMCCXRXVJPWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-2-29-17(26)13-25-22(27)18-19(23(25)28)21-16-11-7-6-10-15(16)12-24(21)20(18)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3.
What are the key properties of ethyl 2-(12,14-dioxo-10-phenyl-9,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaen-13-yl)acetate?
ethyl 2-(12,14-dioxo-10-phenyl-9,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaen-13-yl)acetate has a molecular weight of 386.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(12,14-dioxo-10-phenyl-9,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(15),2,4,6,10-pentaen-13-yl)acetate is sourced from PubChem (CID 20855117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).