ethyl 2-(2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaen-9-yl)acetate

C18H14N2O4 — CID 155762058

IUPACethyl 2-(2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaen-9-yl)acetate
SMILESCCOC(=O)Cn1c2c(c(=O)c3ccccc31)C(=O)n1cccc1-2
InChIInChI=1S/C18H14N2O4/c1-2-24-14(21)10-20-12-7-4-3-6-11(12)17(22)15-16(20)13-8-5-9-19(13)18(15)23/h3-9H,2,10H2,1H3
InChIKeyZRDBGUAXRPAXRN-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.04
Rot. Bonds3

About ethyl 2-(2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaen-9-yl)acetate

ethyl 2-(2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaen-9-yl)acetate (PubChem CID 155762058) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is ethyl 2-(2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaen-9-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaen-9-yl)acetate
PubChem CID155762058
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Nameethyl 2-(2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaen-9-yl)acetate
SMILESCCOC(=O)Cn1c2c(c(=O)c3ccccc31)C(=O)n1cccc1-2
InChIInChI=1S/C18H14N2O4/c1-2-24-14(21)10-20-12-7-4-3-6-11(12)17(22)15-16(20)13-8-5-9-19(13)18(15)23/h3-9H,2,10H2,1H3
InChIKeyZRDBGUAXRPAXRN-UHFFFAOYSA-N
XLogP2.04
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaen-9-yl)acetate with MolForge

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Related Compounds

ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 139690708
(2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612647
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612511
ethyl 2-(3-hydroxy-2-oxobenzimidazol-1-yl)acetate
CID 121354507
ethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate
CID 16587255
ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate
CID 16587229
ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate
CID 97035556
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
ethyl 2-(2-oxocyclohepta[b]pyrrol-1-yl)acetate
CID 56633212
cyanomethyl 2-(9-oxoacridin-10-yl)acetate
CID 16587178
ethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 14423769

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaen-9-yl)acetate?
The IUPAC name of ethyl 2-(2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaen-9-yl)acetate (CID 155762058) is ethyl 2-(2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaen-9-yl)acetate.
What is the SMILES notation for ethyl 2-(2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaen-9-yl)acetate?
The canonical SMILES for ethyl 2-(2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaen-9-yl)acetate is CCOC(=O)Cn1c2c(c(=O)c3ccccc31)C(=O)n1cccc1-2.
What is the InChIKey of ethyl 2-(2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaen-9-yl)acetate?
The InChIKey is ZRDBGUAXRPAXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-2-24-14(21)10-20-12-7-4-3-6-11(12)17(22)15-16(20)13-8-5-9-19(13)18(15)23/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 2-(2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaen-9-yl)acetate?
ethyl 2-(2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaen-9-yl)acetate has a molecular weight of 322.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaen-9-yl)acetate is sourced from PubChem (CID 155762058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).