1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-6-methylquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one

C104H107Cl3F4N8O13S — CID 161362284

About 1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-6-methylquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one

1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-6-methylquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one (PubChem CID 161362284) has the molecular formula C104H107Cl3F4N8O13S and a molecular weight of 1891.46 g/mol. Its IUPAC name is 1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-6-methylquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one.

Molecular Properties

• Compound Name: 1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-6-methylquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
• PubChem CID: 161362284
• Molecular Formula: C104H107Cl3F4N8O13S
• Molecular Weight: 1891.46 g/mol
• Exact Mass: 1888.67
• IUPAC Name: 1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-6-methylquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
• SMILES: Cc1cc2c(Oc3ccc(CC(=O)Cc4ccc(Cl)c(C(F)(F)F)c4)c(Cl)c3)ncnc2cc1OCCCN1CCC2(CC1)COC2.Cc1cc2c(Oc3ccc(CC(=O)Cc4ccsc4)c(Cl)c3)ncnc2cc1OCCCN1CCC2(CC1)COC2.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCCC(=O)N5CCC6(CC5)COC6)c(C)cc34)cc2)c1
• InChI: InChI=1S/C37H39FN2O5.C35H34Cl2F3N3O4.C32H34ClN3O4S/c1-25-5-10-32(38)28(18-25)21-29(41)20-27-6-8-30(9-7-27)45-34-11-14-39-33-22-35(26(2)19-31(33)34)44-17-3-4-36(42)40-15-12-37(13-16-40)23-43-24-37;1-22-13-27-31(18-32(22)46-12-2-9-43-10-7-34(8-11-43)19-45-20-34)41-21-42-33(27)47-26-5-4-24(30(37)17-26)16-25(44)14-23-3-6-29(36)28(15-23)35(38,39)40;1-22-13-27-29(17-30(22)39-11-2-8-36-9-6-32(7-10-36)19-38-20-32)34-21-35-31(27)40-26-4-3-24(28(33)16-26)15-25(37)14-23-5-12-41-18-23/h5-11,14,18-19,22H,3-4,12-13,15-17,20-21,23-24H2,1-2H3;3-6,13,15,17-18,21H,2,7-12,14,16,19-20H2,1H3;3-5,12-13,16-18,21H,2,6-11,14-15,19-20H2,1H3
• InChIKey: VPINDXBVVREEJV-UHFFFAOYSA-N
• XLogP: 21.91
• TPSA: 225.52 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 33
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1891.46
LogP ≤ 5	21.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-6-methylquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one?

The IUPAC name of 1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-6-methylquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one (CID 161362284) is 1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-6-methylquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one.

What is the SMILES notation for 1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-6-methylquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one?

The canonical SMILES for 1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-6-methylquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one is Cc1cc2c(Oc3ccc(CC(=O)Cc4ccc(Cl)c(C(F)(F)F)c4)c(Cl)c3)ncnc2cc1OCCCN1CCC2(CC1)COC2.Cc1cc2c(Oc3ccc(CC(=O)Cc4ccsc4)c(Cl)c3)ncnc2cc1OCCCN1CCC2(CC1)COC2.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCCC(=O)N5CCC6(CC5)COC6)c(C)cc34)cc2)c1.

What is the InChIKey of 1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-6-methylquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one?

The InChIKey is VPINDXBVVREEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39FN2O5.C35H34Cl2F3N3O4.C32H34ClN3O4S/c1-25-5-10-32(38)28(18-25)21-29(41)20-27-6-8-30(9-7-27)45-34-11-14-39-33-22-35(26(2)19-31(33)34)44-17-3-4-36(42)40-15-12-37(13-16-40)23-43-24-37;1-22-13-27-31(18-32(22)46-12-2-9-43-10-7-34(8-11-43)19-45-20-34)41-21-42-33(27)47-26-5-4-24(30(37)17-26)16-25(44)14-23-3-6-29(36)28(15-23)35(38,39)40;1-22-13-27-29(17-30(22)39-11-2-8-36-9-6-32(7-10-36)19-38-20-32)34-21-35-31(27)40-26-4-3-24(28(33)16-26)15-25(37)14-23-5-12-41-18-23/h5-11,14,18-19,22H,3-4,12-13,15-17,20-21,23-24H2,1-2H3;3-6,13,15,17-18,21H,2,7-12,14,16,19-20H2,1H3;3-5,12-13,16-18,21H,2,6-11,14-15,19-20H2,1H3.

What are the key properties of 1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-6-methylquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one?

1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-6-methylquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one has a molecular weight of 1891.46 g/mol, XLogP of 21.91, 33 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-6-methylquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one is sourced from PubChem (CID 161362284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).