8-(3-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3-isocyanophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-8-yl]benzamide;8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one

C121H76F15N15O6 — CID 158218629

About 8-(3-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3-isocyanophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-8-yl]benzamide;8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one

8-(3-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3-isocyanophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-8-yl]benzamide;8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one (PubChem CID 158218629) has the molecular formula C121H76F15N15O6 and a molecular weight of 2121.01 g/mol. Its IUPAC name is 8-(3-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3-isocyanophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-8-yl]benzamide;8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one.

Molecular Properties

• Compound Name: 8-(3-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3-isocyanophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-8-yl]benzamide;8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one
• PubChem CID: 158218629
• Molecular Formula: C121H76F15N15O6
• Molecular Weight: 2121.01 g/mol
• Exact Mass: 2119.59
• IUPAC Name: 8-(3-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3-isocyanophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-8-yl]benzamide;8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one
• SMILES: NC(=O)c1ccc(-c2ccc3ncc4c(c3c2)N(c2cccc(C(F)(F)F)c2)C(=O)C4)cc1.Nc1ccc(-c2ccc3ncc4c(c3c2)N(c2cccc(C(F)(F)F)c2)C(=O)C4)cc1.Nc1cccc(-c2ccc3ncc4c(c3c2)N(c2cccc(C(F)(F)F)c2)C(=O)C4)c1.O=C1Cc2cnc3ccc(-c4cccnc4)cc3c2N1c1cccc(C(F)(F)F)c1.[C-]#[N+]c1cccc(-c2ccc3ncc4c(c3c2)N(c2cccc(C(F)(F)F)c2)C(=O)C4)c1
• InChI: InChI=1S/C25H16F3N3O2.C25H14F3N3O.2C24H16F3N3O.C23H14F3N3O/c26-25(27,28)18-2-1-3-19(12-18)31-22(32)11-17-13-30-21-9-8-16(10-20(21)23(17)31)14-4-6-15(7-5-14)24(29)33;1-29-19-6-2-4-15(10-19)16-8-9-22-21(11-16)24-17(14-30-22)12-23(32)31(24)20-7-3-5-18(13-20)25(26,27)28;25-24(26,27)17-4-2-6-19(12-17)30-22(31)11-16-13-29-21-8-7-15(10-20(21)23(16)30)14-3-1-5-18(28)9-14;25-24(26,27)17-2-1-3-19(12-17)30-22(31)11-16-13-29-21-9-6-15(10-20(21)23(16)30)14-4-7-18(28)8-5-14;24-23(25,26)17-4-1-5-18(11-17)29-21(30)10-16-13-28-20-7-6-14(9-19(20)22(16)29)15-3-2-8-27-12-15/h1-10,12-13H,11H2,(H2,29,33);2-11,13-14H,12H2;2*1-10,12-13H,11,28H2;1-9,11-13H,10H2
• InChIKey: GCYWYCQCYKOQLU-UHFFFAOYSA-N
• XLogP: 28.92
• TPSA: 278.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2121.01
LogP ≤ 5	28.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3-isocyanophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-8-yl]benzamide;8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one?

The IUPAC name of 8-(3-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3-isocyanophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-8-yl]benzamide;8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one (CID 158218629) is 8-(3-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3-isocyanophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-8-yl]benzamide;8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one.

What is the SMILES notation for 8-(3-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3-isocyanophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-8-yl]benzamide;8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one?

The canonical SMILES for 8-(3-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3-isocyanophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-8-yl]benzamide;8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one is NC(=O)c1ccc(-c2ccc3ncc4c(c3c2)N(c2cccc(C(F)(F)F)c2)C(=O)C4)cc1.Nc1ccc(-c2ccc3ncc4c(c3c2)N(c2cccc(C(F)(F)F)c2)C(=O)C4)cc1.Nc1cccc(-c2ccc3ncc4c(c3c2)N(c2cccc(C(F)(F)F)c2)C(=O)C4)c1.O=C1Cc2cnc3ccc(-c4cccnc4)cc3c2N1c1cccc(C(F)(F)F)c1.[C-]#[N+]c1cccc(-c2ccc3ncc4c(c3c2)N(c2cccc(C(F)(F)F)c2)C(=O)C4)c1.

What is the InChIKey of 8-(3-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3-isocyanophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-8-yl]benzamide;8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one?

The InChIKey is GCYWYCQCYKOQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N3O2.C25H14F3N3O.2C24H16F3N3O.C23H14F3N3O/c26-25(27,28)18-2-1-3-19(12-18)31-22(32)11-17-13-30-21-9-8-16(10-20(21)23(17)31)14-4-6-15(7-5-14)24(29)33;1-29-19-6-2-4-15(10-19)16-8-9-22-21(11-16)24-17(14-30-22)12-23(32)31(24)20-7-3-5-18(13-20)25(26,27)28;25-24(26,27)17-4-2-6-19(12-17)30-22(31)11-16-13-29-21-8-7-15(10-20(21)23(16)30)14-3-1-5-18(28)9-14;25-24(26,27)17-2-1-3-19(12-17)30-22(31)11-16-13-29-21-9-6-15(10-20(21)23(16)30)14-4-7-18(28)8-5-14;24-23(25,26)17-4-1-5-18(11-17)29-21(30)10-16-13-28-20-7-6-14(9-19(20)22(16)29)15-3-2-8-27-12-15/h1-10,12-13H,11H2,(H2,29,33);2-11,13-14H,12H2;2*1-10,12-13H,11,28H2;1-9,11-13H,10H2.

What are the key properties of 8-(3-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3-isocyanophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-8-yl]benzamide;8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one?

8-(3-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3-isocyanophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-8-yl]benzamide;8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one has a molecular weight of 2121.01 g/mol, XLogP of 28.92, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(4-aminophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;8-(3-isocyanophenyl)-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one;4-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-8-yl]benzamide;8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[3,2-c]quinolin-2-one is sourced from PubChem (CID 158218629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).