N-(2-ethoxyethyl)-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine;2-(3-methylphenyl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine;4-(3-methylphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]cyclohexan-1-one;6-morpholin-4-yl-4-(3-propylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C105H98N18O10 — CID 160741885

About N-(2-ethoxyethyl)-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine;2-(3-methylphenyl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine;4-(3-methylphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]cyclohexan-1-one;6-morpholin-4-yl-4-(3-propylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

N-(2-ethoxyethyl)-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine;2-(3-methylphenyl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine;4-(3-methylphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]cyclohexan-1-one;6-morpholin-4-yl-4-(3-propylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 160741885) has the molecular formula C105H98N18O10 and a molecular weight of 1772.05 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine;2-(3-methylphenyl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine;4-(3-methylphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]cyclohexan-1-one;6-morpholin-4-yl-4-(3-propylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

• Compound Name: N-(2-ethoxyethyl)-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine;2-(3-methylphenyl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine;4-(3-methylphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]cyclohexan-1-one;6-morpholin-4-yl-4-(3-propylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• PubChem CID: 160741885
• Molecular Formula: C105H98N18O10
• Molecular Weight: 1772.05 g/mol
• Exact Mass: 1770.77
• IUPAC Name: N-(2-ethoxyethyl)-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine;2-(3-methylphenyl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine;4-(3-methylphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]cyclohexan-1-one;6-morpholin-4-yl-4-(3-propylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• SMILES: CCCc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1.CCOCCNc1nc(-c2cccc(C)c2)nc2c1oc1ncccc12.Cc1cccc(-c2nc(C3CCC(=O)CC3)c3oc4ncccc4c3n2)c1.Cc1cccc(-c2nc(N3CCOCC3)c3oc4ccccc4c3n2)c1.Cc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1
• InChI: InChI=1S/C22H22N4O2.C22H19N3O2.C21H19N3O2.C20H18N4O2.C20H20N4O2/c1-2-5-15-6-3-7-16(14-15)20-24-18-17-8-4-9-23-22(17)28-19(18)21(25-20)26-10-12-27-13-11-26;1-13-4-2-5-15(12-13)21-24-18(14-7-9-16(26)10-8-14)20-19(25-21)17-6-3-11-23-22(17)27-20;1-14-5-4-6-15(13-14)20-22-18-16-7-2-3-8-17(16)26-19(18)21(23-20)24-9-11-25-12-10-24;1-13-4-2-5-14(12-13)18-22-16-15-6-3-7-21-20(15)26-17(16)19(23-18)24-8-10-25-11-9-24;1-3-25-11-10-21-19-17-16(15-8-5-9-22-20(15)26-17)23-18(24-19)14-7-4-6-13(2)12-14/h3-4,6-9,14H,2,5,10-13H2,1H3;2-6,11-12,14H,7-10H2,1H3;2-8,13H,9-12H2,1H3;2-7,12H,8-11H2,1H3;4-9,12H,3,10-11H2,1-2H3,(H,21,23,24)
• InChIKey: RVRQPSXPEXOMMH-UHFFFAOYSA-N
• XLogP: 21.17
• TPSA: 321.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1772.05
LogP ≤ 5	21.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine;2-(3-methylphenyl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine;4-(3-methylphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]cyclohexan-1-one;6-morpholin-4-yl-4-(3-propylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The IUPAC name of N-(2-ethoxyethyl)-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine;2-(3-methylphenyl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine;4-(3-methylphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]cyclohexan-1-one;6-morpholin-4-yl-4-(3-propylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 160741885) is N-(2-ethoxyethyl)-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine;2-(3-methylphenyl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine;4-(3-methylphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]cyclohexan-1-one;6-morpholin-4-yl-4-(3-propylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

What is the SMILES notation for N-(2-ethoxyethyl)-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine;2-(3-methylphenyl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine;4-(3-methylphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]cyclohexan-1-one;6-morpholin-4-yl-4-(3-propylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The canonical SMILES for N-(2-ethoxyethyl)-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine;2-(3-methylphenyl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine;4-(3-methylphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]cyclohexan-1-one;6-morpholin-4-yl-4-(3-propylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CCCc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1.CCOCCNc1nc(-c2cccc(C)c2)nc2c1oc1ncccc12.Cc1cccc(-c2nc(C3CCC(=O)CC3)c3oc4ncccc4c3n2)c1.Cc1cccc(-c2nc(N3CCOCC3)c3oc4ccccc4c3n2)c1.Cc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1.

What is the InChIKey of N-(2-ethoxyethyl)-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine;2-(3-methylphenyl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine;4-(3-methylphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]cyclohexan-1-one;6-morpholin-4-yl-4-(3-propylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The InChIKey is RVRQPSXPEXOMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2.C22H19N3O2.C21H19N3O2.C20H18N4O2.C20H20N4O2/c1-2-5-15-6-3-7-16(14-15)20-24-18-17-8-4-9-23-22(17)28-19(18)21(25-20)26-10-12-27-13-11-26;1-13-4-2-5-15(12-13)21-24-18(14-7-9-16(26)10-8-14)20-19(25-21)17-6-3-11-23-22(17)27-20;1-14-5-4-6-15(13-14)20-22-18-16-7-2-3-8-17(16)26-19(18)21(23-20)24-9-11-25-12-10-24;1-13-4-2-5-14(12-13)18-22-16-15-6-3-7-21-20(15)26-17(16)19(23-18)24-8-10-25-11-9-24;1-3-25-11-10-21-19-17-16(15-8-5-9-22-20(15)26-17)23-18(24-19)14-7-4-6-13(2)12-14/h3-4,6-9,14H,2,5,10-13H2,1H3;2-6,11-12,14H,7-10H2,1H3;2-8,13H,9-12H2,1H3;2-7,12H,8-11H2,1H3;4-9,12H,3,10-11H2,1-2H3,(H,21,23,24).

What are the key properties of N-(2-ethoxyethyl)-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine;2-(3-methylphenyl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine;4-(3-methylphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]cyclohexan-1-one;6-morpholin-4-yl-4-(3-propylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

N-(2-ethoxyethyl)-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine;2-(3-methylphenyl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine;4-(3-methylphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]cyclohexan-1-one;6-morpholin-4-yl-4-(3-propylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 1772.05 g/mol, XLogP of 21.17, 16 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethoxyethyl)-4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine;2-(3-methylphenyl)-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine;4-(3-methylphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(3-methylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]cyclohexan-1-one;6-morpholin-4-yl-4-(3-propylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 160741885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).