3-ethyl-10H-phenanthren-9-one;6-fluoro-2-methyl-3-oxo-1H-isoindole-4-carboxamide;2-(2-fluoro-4-methylphenyl)-3a,7a-dihydro-3H-indole-4-carboxamide;6-fluoro-2-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide;2-methyl-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one

C88H79F3N10O8 — CID 165056223

About 3-ethyl-10H-phenanthren-9-one;6-fluoro-2-methyl-3-oxo-1H-isoindole-4-carboxamide;2-(2-fluoro-4-methylphenyl)-3a,7a-dihydro-3H-indole-4-carboxamide;6-fluoro-2-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide;2-methyl-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one

3-ethyl-10H-phenanthren-9-one;6-fluoro-2-methyl-3-oxo-1H-isoindole-4-carboxamide;2-(2-fluoro-4-methylphenyl)-3a,7a-dihydro-3H-indole-4-carboxamide;6-fluoro-2-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide;2-methyl-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one (PubChem CID 165056223) has the molecular formula C88H79F3N10O8 and a molecular weight of 1461.66 g/mol. Its IUPAC name is 3-ethyl-10H-phenanthren-9-one;6-fluoro-2-methyl-3-oxo-1H-isoindole-4-carboxamide;2-(2-fluoro-4-methylphenyl)-3a,7a-dihydro-3H-indole-4-carboxamide;6-fluoro-2-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide;2-methyl-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one.

Molecular Properties

• Compound Name: 3-ethyl-10H-phenanthren-9-one;6-fluoro-2-methyl-3-oxo-1H-isoindole-4-carboxamide;2-(2-fluoro-4-methylphenyl)-3a,7a-dihydro-3H-indole-4-carboxamide;6-fluoro-2-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide;2-methyl-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
• PubChem CID: 165056223
• Molecular Formula: C88H79F3N10O8
• Molecular Weight: 1461.66 g/mol
• Exact Mass: 1460.60
• IUPAC Name: 3-ethyl-10H-phenanthren-9-one;6-fluoro-2-methyl-3-oxo-1H-isoindole-4-carboxamide;2-(2-fluoro-4-methylphenyl)-3a,7a-dihydro-3H-indole-4-carboxamide;6-fluoro-2-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide;2-methyl-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
• SMILES: CCc1ccc2c(c1)-c1ccccc1C(=O)C2.CN1Cc2cc(F)cc(C(N)=O)c2C1=O.Cc1ccc(-c2nc3cccc4c3n2CCCC4=O)cc1.Cc1ccc(C2=NC3C=CC=C(C(N)=O)C3C2)c(F)c1.Cc1ccc(N2Cc3cc(F)cc(C(N)=O)c3C2=O)cc1.Cc1nc2cccc3c2n1CCCC3=O
• InChI: InChI=1S/C18H16N2O.C16H13FN2O2.C16H15FN2O.C16H14O.C12H12N2O.C10H9FN2O2/c1-12-7-9-13(10-8-12)18-19-15-5-2-4-14-16(21)6-3-11-20(18)17(14)15;1-9-2-4-12(5-3-9)19-8-10-6-11(17)7-13(15(18)20)14(10)16(19)21;1-9-5-6-11(13(17)7-9)15-8-12-10(16(18)20)3-2-4-14(12)19-15;1-2-11-7-8-12-10-16(17)14-6-4-3-5-13(14)15(12)9-11;1-8-13-10-5-2-4-9-11(15)6-3-7-14(8)12(9)10;1-13-4-5-2-6(11)3-7(9(12)14)8(5)10(13)15/h2,4-5,7-10H,3,6,11H2,1H3;2-7H,8H2,1H3,(H2,18,20);2-7,12,14H,8H2,1H3,(H2,18,20);3-9H,2,10H2,1H3;2,4-5H,3,6-7H2,1H3;2-3H,4H2,1H3,(H2,12,14)
• InChIKey: QLUNRBSQRBTUFB-UHFFFAOYSA-N
• XLogP: 15.16
• TPSA: 269.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1461.66
LogP ≤ 5	15.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-10H-phenanthren-9-one;6-fluoro-2-methyl-3-oxo-1H-isoindole-4-carboxamide;2-(2-fluoro-4-methylphenyl)-3a,7a-dihydro-3H-indole-4-carboxamide;6-fluoro-2-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide;2-methyl-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one?

The IUPAC name of 3-ethyl-10H-phenanthren-9-one;6-fluoro-2-methyl-3-oxo-1H-isoindole-4-carboxamide;2-(2-fluoro-4-methylphenyl)-3a,7a-dihydro-3H-indole-4-carboxamide;6-fluoro-2-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide;2-methyl-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one (CID 165056223) is 3-ethyl-10H-phenanthren-9-one;6-fluoro-2-methyl-3-oxo-1H-isoindole-4-carboxamide;2-(2-fluoro-4-methylphenyl)-3a,7a-dihydro-3H-indole-4-carboxamide;6-fluoro-2-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide;2-methyl-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one.

What is the SMILES notation for 3-ethyl-10H-phenanthren-9-one;6-fluoro-2-methyl-3-oxo-1H-isoindole-4-carboxamide;2-(2-fluoro-4-methylphenyl)-3a,7a-dihydro-3H-indole-4-carboxamide;6-fluoro-2-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide;2-methyl-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one?

The canonical SMILES for 3-ethyl-10H-phenanthren-9-one;6-fluoro-2-methyl-3-oxo-1H-isoindole-4-carboxamide;2-(2-fluoro-4-methylphenyl)-3a,7a-dihydro-3H-indole-4-carboxamide;6-fluoro-2-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide;2-methyl-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one is CCc1ccc2c(c1)-c1ccccc1C(=O)C2.CN1Cc2cc(F)cc(C(N)=O)c2C1=O.Cc1ccc(-c2nc3cccc4c3n2CCCC4=O)cc1.Cc1ccc(C2=NC3C=CC=C(C(N)=O)C3C2)c(F)c1.Cc1ccc(N2Cc3cc(F)cc(C(N)=O)c3C2=O)cc1.Cc1nc2cccc3c2n1CCCC3=O.

What is the InChIKey of 3-ethyl-10H-phenanthren-9-one;6-fluoro-2-methyl-3-oxo-1H-isoindole-4-carboxamide;2-(2-fluoro-4-methylphenyl)-3a,7a-dihydro-3H-indole-4-carboxamide;6-fluoro-2-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide;2-methyl-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one?

The InChIKey is QLUNRBSQRBTUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O.C16H13FN2O2.C16H15FN2O.C16H14O.C12H12N2O.C10H9FN2O2/c1-12-7-9-13(10-8-12)18-19-15-5-2-4-14-16(21)6-3-11-20(18)17(14)15;1-9-2-4-12(5-3-9)19-8-10-6-11(17)7-13(15(18)20)14(10)16(19)21;1-9-5-6-11(13(17)7-9)15-8-12-10(16(18)20)3-2-4-14(12)19-15;1-2-11-7-8-12-10-16(17)14-6-4-3-5-13(14)15(12)9-11;1-8-13-10-5-2-4-9-11(15)6-3-7-14(8)12(9)10;1-13-4-5-2-6(11)3-7(9(12)14)8(5)10(13)15/h2,4-5,7-10H,3,6,11H2,1H3;2-7H,8H2,1H3,(H2,18,20);2-7,12,14H,8H2,1H3,(H2,18,20);3-9H,2,10H2,1H3;2,4-5H,3,6-7H2,1H3;2-3H,4H2,1H3,(H2,12,14).

What are the key properties of 3-ethyl-10H-phenanthren-9-one;6-fluoro-2-methyl-3-oxo-1H-isoindole-4-carboxamide;2-(2-fluoro-4-methylphenyl)-3a,7a-dihydro-3H-indole-4-carboxamide;6-fluoro-2-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide;2-methyl-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one?

3-ethyl-10H-phenanthren-9-one;6-fluoro-2-methyl-3-oxo-1H-isoindole-4-carboxamide;2-(2-fluoro-4-methylphenyl)-3a,7a-dihydro-3H-indole-4-carboxamide;6-fluoro-2-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide;2-methyl-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one has a molecular weight of 1461.66 g/mol, XLogP of 15.16, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-10H-phenanthren-9-one;6-fluoro-2-methyl-3-oxo-1H-isoindole-4-carboxamide;2-(2-fluoro-4-methylphenyl)-3a,7a-dihydro-3H-indole-4-carboxamide;6-fluoro-2-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide;2-methyl-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one;2-(4-methylphenyl)-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one is sourced from PubChem (CID 165056223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).