7-[3-[4-[3-chloro-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]propyl]phenoxy]-6-methylquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyaniline

C60H65Cl3F3N7O6 — CID 163803241

About 7-[3-[4-[3-chloro-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]propyl]phenoxy]-6-methylquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyaniline

7-[3-[4-[3-chloro-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]propyl]phenoxy]-6-methylquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyaniline (PubChem CID 163803241) has the molecular formula C60H65Cl3F3N7O6 and a molecular weight of 1143.58 g/mol. Its IUPAC name is 7-[3-[4-[3-chloro-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]propyl]phenoxy]-6-methylquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyaniline.

Molecular Properties

• Compound Name: 7-[3-[4-[3-chloro-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]propyl]phenoxy]-6-methylquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyaniline
• PubChem CID: 163803241
• Molecular Formula: C60H65Cl3F3N7O6
• Molecular Weight: 1143.58 g/mol
• Exact Mass: 1141.40
• IUPAC Name: 7-[3-[4-[3-chloro-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]propyl]phenoxy]-6-methylquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyaniline
• SMILES: Cc1cc2c(Oc3ccc(CCCc4ccc(Cl)c(C(F)(F)F)c4)c(Cl)c3)ncnc2cc1OCCCN1CCC2(CC1)COC2.Cc1cc2c(Oc3ccc(N)c(Cl)c3)ncnc2cc1OCCCN1CCC2(CC1)COC2
• InChI: InChI=1S/C35H36Cl2F3N3O3.C25H29ClN4O3/c1-23-16-27-31(19-32(23)45-15-3-12-43-13-10-34(11-14-43)20-44-21-34)41-22-42-33(27)46-26-8-7-25(30(37)18-26)5-2-4-24-6-9-29(36)28(17-24)35(38,39)40;1-17-11-19-22(28-16-29-24(19)33-18-3-4-21(27)20(26)12-18)13-23(17)32-10-2-7-30-8-5-25(6-9-30)14-31-15-25/h6-9,16-19,22H,2-5,10-15,20-21H2,1H3;3-4,11-13,16H,2,5-10,14-15,27H2,1H3
• InChIKey: NGUDVDASEBJNRP-UHFFFAOYSA-N
• XLogP: 13.96
• TPSA: 139.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1143.58
LogP ≤ 5	13.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-[3-chloro-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]propyl]phenoxy]-6-methylquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyaniline?

The IUPAC name of 7-[3-[4-[3-chloro-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]propyl]phenoxy]-6-methylquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyaniline (CID 163803241) is 7-[3-[4-[3-chloro-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]propyl]phenoxy]-6-methylquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyaniline.

What is the SMILES notation for 7-[3-[4-[3-chloro-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]propyl]phenoxy]-6-methylquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyaniline?

The canonical SMILES for 7-[3-[4-[3-chloro-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]propyl]phenoxy]-6-methylquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyaniline is Cc1cc2c(Oc3ccc(CCCc4ccc(Cl)c(C(F)(F)F)c4)c(Cl)c3)ncnc2cc1OCCCN1CCC2(CC1)COC2.Cc1cc2c(Oc3ccc(N)c(Cl)c3)ncnc2cc1OCCCN1CCC2(CC1)COC2.

What is the InChIKey of 7-[3-[4-[3-chloro-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]propyl]phenoxy]-6-methylquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyaniline?

The InChIKey is NGUDVDASEBJNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36Cl2F3N3O3.C25H29ClN4O3/c1-23-16-27-31(19-32(23)45-15-3-12-43-13-10-34(11-14-43)20-44-21-34)41-22-42-33(27)46-26-8-7-25(30(37)18-26)5-2-4-24-6-9-29(36)28(17-24)35(38,39)40;1-17-11-19-22(28-16-29-24(19)33-18-3-4-21(27)20(26)12-18)13-23(17)32-10-2-7-30-8-5-25(6-9-30)14-31-15-25/h6-9,16-19,22H,2-5,10-15,20-21H2,1H3;3-4,11-13,16H,2,5-10,14-15,27H2,1H3.

What are the key properties of 7-[3-[4-[3-chloro-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]propyl]phenoxy]-6-methylquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyaniline?

7-[3-[4-[3-chloro-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]propyl]phenoxy]-6-methylquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyaniline has a molecular weight of 1143.58 g/mol, XLogP of 13.96, 18 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[4-[3-chloro-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]propyl]phenoxy]-6-methylquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyaniline is sourced from PubChem (CID 163803241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).