4-ethyl-12-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;5-ethyl-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;2-ethyl-7-methylpyrido[2,3-g]quinoline-5,10-dione;3-ethyl-7-methylpyrido[3,2-g]quinoline-5,10-dione;4-ethyl-9-methylpyrido[2,3-g]quinoline-5,10-dione;7-ethyl-3-methylpyrido[2,3-g]quinoline-5,10-dione

C88H72N12O10 — CID 158012093

About 4-ethyl-12-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;5-ethyl-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;2-ethyl-7-methylpyrido[2,3-g]quinoline-5,10-dione;3-ethyl-7-methylpyrido[3,2-g]quinoline-5,10-dione;4-ethyl-9-methylpyrido[2,3-g]quinoline-5,10-dione;7-ethyl-3-methylpyrido[2,3-g]quinoline-5,10-dione

4-ethyl-12-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;5-ethyl-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;2-ethyl-7-methylpyrido[2,3-g]quinoline-5,10-dione;3-ethyl-7-methylpyrido[3,2-g]quinoline-5,10-dione;4-ethyl-9-methylpyrido[2,3-g]quinoline-5,10-dione;7-ethyl-3-methylpyrido[2,3-g]quinoline-5,10-dione (PubChem CID 158012093) has the molecular formula C88H72N12O10 and a molecular weight of 1457.62 g/mol. Its IUPAC name is 4-ethyl-12-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;5-ethyl-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;2-ethyl-7-methylpyrido[2,3-g]quinoline-5,10-dione;3-ethyl-7-methylpyrido[3,2-g]quinoline-5,10-dione;4-ethyl-9-methylpyrido[2,3-g]quinoline-5,10-dione;7-ethyl-3-methylpyrido[2,3-g]quinoline-5,10-dione.

Molecular Properties

• Compound Name: 4-ethyl-12-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;5-ethyl-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;2-ethyl-7-methylpyrido[2,3-g]quinoline-5,10-dione;3-ethyl-7-methylpyrido[3,2-g]quinoline-5,10-dione;4-ethyl-9-methylpyrido[2,3-g]quinoline-5,10-dione;7-ethyl-3-methylpyrido[2,3-g]quinoline-5,10-dione
• PubChem CID: 158012093
• Molecular Formula: C88H72N12O10
• Molecular Weight: 1457.62 g/mol
• Exact Mass: 1456.55
• IUPAC Name: 4-ethyl-12-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;5-ethyl-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;2-ethyl-7-methylpyrido[2,3-g]quinoline-5,10-dione;3-ethyl-7-methylpyrido[3,2-g]quinoline-5,10-dione;4-ethyl-9-methylpyrido[2,3-g]quinoline-5,10-dione;7-ethyl-3-methylpyrido[2,3-g]quinoline-5,10-dione
• SMILES: CCc1ccc2c(n1)-c1nc(C)ccc1C2=O.CCc1ccc2c(n1)C(=O)c1cc(C)cnc1C2=O.CCc1ccc2c(n1)C(=O)c1ccc(C)nc1C2=O.CCc1ccnc2c1C(=O)c1nccc(C)c1C2=O.CCc1cnc2c(c1)C(=O)c1cc(C)cnc1-2.CCc1cnc2c(c1)C(=O)c1cc(C)cnc1C2=O
• InChI: InChI=1S/4C15H12N2O2.2C14H12N2O/c1-3-9-5-11-13(17-7-9)15(19)12-10(14(11)18)4-8(2)6-16-12;1-3-9-5-7-17-13-11(9)15(19)12-10(14(13)18)8(2)4-6-16-12;1-3-9-5-7-11-13(17-9)15(19)10-6-4-8(2)16-12(10)14(11)18;1-3-9-4-5-10-13(17-9)15(19)11-6-8(2)7-16-12(11)14(10)18;1-3-9-5-11-13(16-7-9)12-10(14(11)17)4-8(2)6-15-12;1-3-9-5-7-11-13(16-9)12-10(14(11)17)6-4-8(2)15-12/h4*4-7H,3H2,1-2H3;2*4-7H,3H2,1-2H3
• InChIKey: FEZZPONGPHBOOC-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 325.38 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 6
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1457.62
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-12-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;5-ethyl-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;2-ethyl-7-methylpyrido[2,3-g]quinoline-5,10-dione;3-ethyl-7-methylpyrido[3,2-g]quinoline-5,10-dione;4-ethyl-9-methylpyrido[2,3-g]quinoline-5,10-dione;7-ethyl-3-methylpyrido[2,3-g]quinoline-5,10-dione?

The IUPAC name of 4-ethyl-12-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;5-ethyl-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;2-ethyl-7-methylpyrido[2,3-g]quinoline-5,10-dione;3-ethyl-7-methylpyrido[3,2-g]quinoline-5,10-dione;4-ethyl-9-methylpyrido[2,3-g]quinoline-5,10-dione;7-ethyl-3-methylpyrido[2,3-g]quinoline-5,10-dione (CID 158012093) is 4-ethyl-12-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;5-ethyl-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;2-ethyl-7-methylpyrido[2,3-g]quinoline-5,10-dione;3-ethyl-7-methylpyrido[3,2-g]quinoline-5,10-dione;4-ethyl-9-methylpyrido[2,3-g]quinoline-5,10-dione;7-ethyl-3-methylpyrido[2,3-g]quinoline-5,10-dione.

What is the SMILES notation for 4-ethyl-12-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;5-ethyl-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;2-ethyl-7-methylpyrido[2,3-g]quinoline-5,10-dione;3-ethyl-7-methylpyrido[3,2-g]quinoline-5,10-dione;4-ethyl-9-methylpyrido[2,3-g]quinoline-5,10-dione;7-ethyl-3-methylpyrido[2,3-g]quinoline-5,10-dione?

The canonical SMILES for 4-ethyl-12-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;5-ethyl-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;2-ethyl-7-methylpyrido[2,3-g]quinoline-5,10-dione;3-ethyl-7-methylpyrido[3,2-g]quinoline-5,10-dione;4-ethyl-9-methylpyrido[2,3-g]quinoline-5,10-dione;7-ethyl-3-methylpyrido[2,3-g]quinoline-5,10-dione is CCc1ccc2c(n1)-c1nc(C)ccc1C2=O.CCc1ccc2c(n1)C(=O)c1cc(C)cnc1C2=O.CCc1ccc2c(n1)C(=O)c1ccc(C)nc1C2=O.CCc1ccnc2c1C(=O)c1nccc(C)c1C2=O.CCc1cnc2c(c1)C(=O)c1cc(C)cnc1-2.CCc1cnc2c(c1)C(=O)c1cc(C)cnc1C2=O.

What is the InChIKey of 4-ethyl-12-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;5-ethyl-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;2-ethyl-7-methylpyrido[2,3-g]quinoline-5,10-dione;3-ethyl-7-methylpyrido[3,2-g]quinoline-5,10-dione;4-ethyl-9-methylpyrido[2,3-g]quinoline-5,10-dione;7-ethyl-3-methylpyrido[2,3-g]quinoline-5,10-dione?

The InChIKey is FEZZPONGPHBOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H12N2O2.2C14H12N2O/c1-3-9-5-11-13(17-7-9)15(19)12-10(14(11)18)4-8(2)6-16-12;1-3-9-5-7-17-13-11(9)15(19)12-10(14(13)18)8(2)4-6-16-12;1-3-9-5-7-11-13(17-9)15(19)10-6-4-8(2)16-12(10)14(11)18;1-3-9-4-5-10-13(17-9)15(19)11-6-8(2)7-16-12(11)14(10)18;1-3-9-5-11-13(16-7-9)12-10(14(11)17)4-8(2)6-15-12;1-3-9-5-7-11-13(16-9)12-10(14(11)17)6-4-8(2)15-12/h4*4-7H,3H2,1-2H3;2*4-7H,3H2,1-2H3.

What are the key properties of 4-ethyl-12-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;5-ethyl-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;2-ethyl-7-methylpyrido[2,3-g]quinoline-5,10-dione;3-ethyl-7-methylpyrido[3,2-g]quinoline-5,10-dione;4-ethyl-9-methylpyrido[2,3-g]quinoline-5,10-dione;7-ethyl-3-methylpyrido[2,3-g]quinoline-5,10-dione?

4-ethyl-12-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;5-ethyl-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;2-ethyl-7-methylpyrido[2,3-g]quinoline-5,10-dione;3-ethyl-7-methylpyrido[3,2-g]quinoline-5,10-dione;4-ethyl-9-methylpyrido[2,3-g]quinoline-5,10-dione;7-ethyl-3-methylpyrido[2,3-g]quinoline-5,10-dione has a molecular weight of 1457.62 g/mol, XLogP of 13.61, 6 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-12-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;5-ethyl-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;2-ethyl-7-methylpyrido[2,3-g]quinoline-5,10-dione;3-ethyl-7-methylpyrido[3,2-g]quinoline-5,10-dione;4-ethyl-9-methylpyrido[2,3-g]quinoline-5,10-dione;7-ethyl-3-methylpyrido[2,3-g]quinoline-5,10-dione is sourced from PubChem (CID 158012093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).