ethyl 2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)benzoate

C23H17NO4 — CID 23853303

IUPACethyl 2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)benzoate
SMILESCCOC(=O)c1ccccc1N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3
InChIInChI=1S/C23H17NO4/c1-2-28-23(27)15-5-3-4-6-18(15)24-21(25)16-11-9-13-7-8-14-10-12-17(22(24)26)20(16)19(13)14/h3-6,9-12H,2,7-8H2,1H3
InChIKeyBCXFMPPEJUARLS-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.92
Rot. Bonds3

About ethyl 2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)benzoate

ethyl 2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)benzoate (PubChem CID 23853303) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is ethyl 2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)benzoate.

Molecular Properties

Compound Nameethyl 2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)benzoate
PubChem CID23853303
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Nameethyl 2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)benzoate
SMILESCCOC(=O)c1ccccc1N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3
InChIInChI=1S/C23H17NO4/c1-2-28-23(27)15-5-3-4-6-18(15)24-21(25)16-11-9-13-7-8-14-10-12-17(22(24)26)20(16)19(13)14/h3-6,9-12H,2,7-8H2,1H3
InChIKeyBCXFMPPEJUARLS-UHFFFAOYSA-N
XLogP3.92
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)benzoate with MolForge

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Related Compounds

6-(2-chlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
CID 3602141
ethyl 2-pyrrol-1-ylbenzoate
CID 12673310
ethyl 4-(dimethylamino)-2-(1,3-dioxoisoindol-2-yl)benzoate
CID 174484074
[2-(4-methylphenyl)-2-oxoethyl] 2-[2-[2-(4-methylphenyl)-2-oxoethoxy]carbonylphenyl]-1,3-dioxoisoindole-5-carboxylate
CID 126186063
ethenyl 2-(1,3-dioxoisoindol-2-yl)benzoate
CID 56998592
diethyl benzene-1,2-dicarboxylate;isocyanic acid
CID 174879507
ethyl 2-[(1S,2S,6R,7R)-10-benzhydrylidene-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoate
CID 26962217
ethene;2-ethoxycarbonylbenzoic acid
CID 159652266
barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684
6,13-dinaphthalen-1-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 101065257
ethyl 2-(1-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate
CID 2891774
ethyl 2-[(1R,2S,6S,7R)-3,5-dioxo-10-(1-phenylethylidene)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoate
CID 126377564

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)benzoate?
The IUPAC name of ethyl 2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)benzoate (CID 23853303) is ethyl 2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)benzoate.
What is the SMILES notation for ethyl 2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)benzoate?
The canonical SMILES for ethyl 2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)benzoate is CCOC(=O)c1ccccc1N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3.
What is the InChIKey of ethyl 2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)benzoate?
The InChIKey is BCXFMPPEJUARLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c1-2-28-23(27)15-5-3-4-6-18(15)24-21(25)16-11-9-13-7-8-14-10-12-17(22(24)26)20(16)19(13)14/h3-6,9-12H,2,7-8H2,1H3.
What are the key properties of ethyl 2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)benzoate?
ethyl 2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)benzoate has a molecular weight of 371.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)benzoate is sourced from PubChem (CID 23853303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).