(4-aminophenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone;1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one;[4-(trifluoromethyl)phenyl] cyanate

C56H46F6N8O6 — CID 159825014

About (4-aminophenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone;1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one;[4-(trifluoromethyl)phenyl] cyanate

(4-aminophenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone;1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one;[4-(trifluoromethyl)phenyl] cyanate (PubChem CID 159825014) has the molecular formula C56H46F6N8O6 and a molecular weight of 1041.02 g/mol. Its IUPAC name is (4-aminophenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone;1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one;[4-(trifluoromethyl)phenyl] cyanate.

Molecular Properties

• Compound Name: (4-aminophenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone;1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one;[4-(trifluoromethyl)phenyl] cyanate
• PubChem CID: 159825014
• Molecular Formula: C56H46F6N8O6
• Molecular Weight: 1041.02 g/mol
• Exact Mass: 1040.34
• IUPAC Name: (4-aminophenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone;1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one;[4-(trifluoromethyl)phenyl] cyanate
• SMILES: N#COc1ccc(C(F)(F)F)cc1.Nc1ccc(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)cc1.O=C(Cc1ccc(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)cc1)Cc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C29H24F3N3O3.C19H18N4O2.C8H4F3NO/c30-29(31,32)23-8-3-20(4-9-23)16-24(36)15-19-1-5-21(6-2-19)28(37)22-7-10-25-26(17-22)34-27(18-33-25)35-11-13-38-14-12-35;20-15-4-1-13(2-5-15)19(24)14-3-6-16-17(11-14)22-18(12-21-16)23-7-9-25-10-8-23;9-8(10,11)6-1-3-7(4-2-6)13-5-12/h1-10,17-18H,11-16H2;1-6,11-12H,7-10,20H2;1-4H
• InChIKey: NMSLALMOWMMWLV-UHFFFAOYSA-N
• XLogP: 9.92
• TPSA: 186.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1041.02
LogP ≤ 5	9.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone;1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one;[4-(trifluoromethyl)phenyl] cyanate?

The IUPAC name of (4-aminophenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone;1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one;[4-(trifluoromethyl)phenyl] cyanate (CID 159825014) is (4-aminophenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone;1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one;[4-(trifluoromethyl)phenyl] cyanate.

What is the SMILES notation for (4-aminophenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone;1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one;[4-(trifluoromethyl)phenyl] cyanate?

The canonical SMILES for (4-aminophenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone;1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one;[4-(trifluoromethyl)phenyl] cyanate is N#COc1ccc(C(F)(F)F)cc1.Nc1ccc(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)cc1.O=C(Cc1ccc(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)cc1)Cc1ccc(C(F)(F)F)cc1.

What is the InChIKey of (4-aminophenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone;1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one;[4-(trifluoromethyl)phenyl] cyanate?

The InChIKey is NMSLALMOWMMWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3N3O3.C19H18N4O2.C8H4F3NO/c30-29(31,32)23-8-3-20(4-9-23)16-24(36)15-19-1-5-21(6-2-19)28(37)22-7-10-25-26(17-22)34-27(18-33-25)35-11-13-38-14-12-35;20-15-4-1-13(2-5-15)19(24)14-3-6-16-17(11-14)22-18(12-21-16)23-7-9-25-10-8-23;9-8(10,11)6-1-3-7(4-2-6)13-5-12/h1-10,17-18H,11-16H2;1-6,11-12H,7-10,20H2;1-4H.

What are the key properties of (4-aminophenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone;1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one;[4-(trifluoromethyl)phenyl] cyanate?

(4-aminophenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone;1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one;[4-(trifluoromethyl)phenyl] cyanate has a molecular weight of 1041.02 g/mol, XLogP of 9.92, 11 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (4-aminophenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone;1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one;[4-(trifluoromethyl)phenyl] cyanate is sourced from PubChem (CID 159825014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).