10-ethyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,15-hexaene-8,12-dione

C15H11N3O2 — CID 24741760

IUPAC10-ethyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,15-hexaene-8,12-dione
SMILESCCc1c2c(nc3[nH][nH]c(=O)c13)-c1ccccc1C2=O
InChIInChI=1S/C15H11N3O2/c1-2-7-10-12(16-14-11(7)15(20)18-17-14)8-5-3-4-6-9(8)13(10)19/h3-6H,2H2,1H3,(H2,16,17,18,20)
InChIKeyLAYONDXFVRDVCA-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.03
Rot. Bonds1

About 10-ethyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,15-hexaene-8,12-dione

10-ethyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,15-hexaene-8,12-dione (PubChem CID 24741760) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 10-ethyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,15-hexaene-8,12-dione.

Molecular Properties

Compound Name10-ethyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,15-hexaene-8,12-dione
PubChem CID24741760
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name10-ethyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,15-hexaene-8,12-dione
SMILESCCc1c2c(nc3[nH][nH]c(=O)c13)-c1ccccc1C2=O
InChIInChI=1S/C15H11N3O2/c1-2-7-10-12(16-14-11(7)15(20)18-17-14)8-5-3-4-6-9(8)13(10)19/h3-6H,2H2,1H3,(H2,16,17,18,20)
InChIKeyLAYONDXFVRDVCA-UHFFFAOYSA-N
XLogP2.03
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

Analyze 10-ethyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,15-hexaene-8,12-dione with MolForge

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Related Compounds

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CID 10334968
anthracene-9,10-dione;propane
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2-methoxy-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
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3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one
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2,4-bis(benzylamino)indeno[1,2-d]pyrimidin-5-one
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1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione
CID 153490221
5-phenylindeno[1,2-c]isoquinolin-11-one
CID 154625535
2-ethyl-3-methyl-1-phenylanthracene-9,10-dione
CID 139627277
ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate
CID 154276205
11-(2-methylphenyl)-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-one
CID 2253905
2-chloro-4-methylbenzo[h]quinoline-5,6-dione
CID 86148975
1-(hydroxymethyl)-2,4-dimethoxyanthracene-9,10-dione
CID 86099558

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,15-hexaene-8,12-dione?
The IUPAC name of 10-ethyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,15-hexaene-8,12-dione (CID 24741760) is 10-ethyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,15-hexaene-8,12-dione.
What is the SMILES notation for 10-ethyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,15-hexaene-8,12-dione?
The canonical SMILES for 10-ethyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,15-hexaene-8,12-dione is CCc1c2c(nc3[nH][nH]c(=O)c13)-c1ccccc1C2=O.
What is the InChIKey of 10-ethyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,15-hexaene-8,12-dione?
The InChIKey is LAYONDXFVRDVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c1-2-7-10-12(16-14-11(7)15(20)18-17-14)8-5-3-4-6-9(8)13(10)19/h3-6H,2H2,1H3,(H2,16,17,18,20).
What are the key properties of 10-ethyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,15-hexaene-8,12-dione?
10-ethyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,15-hexaene-8,12-dione has a molecular weight of 265.27 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,15-hexaene-8,12-dione is sourced from PubChem (CID 24741760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).