ethyl 3-methyl-2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-12-carboxylate

C18H13NO5 — CID 146667345

IUPACethyl 3-methyl-2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-12-carboxylate
SMILESCCOC(=O)c1cc2c(cc3c4c(cccc42)C(=O)N(C)C3=O)o1
InChIInChI=1S/C18H13NO5/c1-3-23-18(22)14-7-11-9-5-4-6-10-15(9)12(8-13(11)24-14)17(21)19(2)16(10)20/h4-8H,3H2,1-2H3
InChIKeyQEYONONIMSBSSL-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.99
Rot. Bonds2

About ethyl 3-methyl-2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-12-carboxylate

ethyl 3-methyl-2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-12-carboxylate (PubChem CID 146667345) has the molecular formula C18H13NO5 and a molecular weight of 323.30 g/mol. Its IUPAC name is ethyl 3-methyl-2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-12-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-12-carboxylate
PubChem CID146667345
Molecular FormulaC18H13NO5
Molecular Weight323.30 g/mol
Exact Mass323.08
IUPAC Nameethyl 3-methyl-2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-12-carboxylate
SMILESCCOC(=O)c1cc2c(cc3c4c(cccc42)C(=O)N(C)C3=O)o1
InChIInChI=1S/C18H13NO5/c1-3-23-18(22)14-7-11-9-5-4-6-10-15(9)12(8-13(11)24-14)17(21)19(2)16(10)20/h4-8H,3H2,1-2H3
InChIKeyQEYONONIMSBSSL-UHFFFAOYSA-N
XLogP2.99
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 3-methyl-2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-12-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-12-carboxylate?
The IUPAC name of ethyl 3-methyl-2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-12-carboxylate (CID 146667345) is ethyl 3-methyl-2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-12-carboxylate.
What is the SMILES notation for ethyl 3-methyl-2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-12-carboxylate?
The canonical SMILES for ethyl 3-methyl-2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-12-carboxylate is CCOC(=O)c1cc2c(cc3c4c(cccc42)C(=O)N(C)C3=O)o1.
What is the InChIKey of ethyl 3-methyl-2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-12-carboxylate?
The InChIKey is QEYONONIMSBSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO5/c1-3-23-18(22)14-7-11-9-5-4-6-10-15(9)12(8-13(11)24-14)17(21)19(2)16(10)20/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-12-carboxylate?
ethyl 3-methyl-2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-12-carboxylate has a molecular weight of 323.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-12-carboxylate is sourced from PubChem (CID 146667345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).