1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one

C128H134Cl4N14O26 — CID 161135353

About 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one

1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one (PubChem CID 161135353) has the molecular formula C128H134Cl4N14O26 and a molecular weight of 2426.36 g/mol. Its IUPAC name is 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one
• PubChem CID: 161135353
• Molecular Formula: C128H134Cl4N14O26
• Molecular Weight: 2426.36 g/mol
• Exact Mass: 2422.83
• IUPAC Name: 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one
• SMILES: COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)on4)c(Cl)c3)ccnc2cc1OCCC(=O)N1CCC2(CC1)COC2.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)on4)c(Cl)c3)ccnc2cc1OCCCN1CCC2(COC2)C1.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)on4)c(Cl)c3)ncnc2cc1OCCC(=O)N1CCC2(CC1)COC2.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)on4)c(Cl)c3)ncnc2cc1OCCCN1CCC2(COC2)C1
• InChI: InChI=1S/C33H34ClN3O7.C32H33ClN4O7.C32H34ClN3O6.C31H33ClN4O6/c1-21-13-23(36-44-21)15-24(38)14-22-3-4-25(16-27(22)34)43-29-5-9-35-28-18-31(30(40-2)17-26(28)29)42-12-6-32(39)37-10-7-33(8-11-37)19-41-20-33;1-20-11-22(36-44-20)13-23(38)12-21-3-4-24(14-26(21)33)43-31-25-15-28(40-2)29(16-27(25)34-19-35-31)42-10-5-30(39)37-8-6-32(7-9-37)17-41-18-32;1-21-12-23(35-42-21)14-24(37)13-22-4-5-25(15-27(22)33)41-29-6-8-34-28-17-31(30(38-2)16-26(28)29)40-11-3-9-36-10-7-32(18-36)19-39-20-32;1-20-10-22(35-42-20)12-23(37)11-21-4-5-24(13-26(21)32)41-30-25-14-28(38-2)29(15-27(25)33-19-34-30)40-9-3-7-36-8-6-31(16-36)17-39-18-31/h3-5,9,13,16-18H,6-8,10-12,14-15,19-20H2,1-2H3;3-4,11,14-16,19H,5-10,12-13,17-18H2,1-2H3;4-6,8,12,15-17H,3,7,9-11,13-14,18-20H2,1-2H3;4-5,10,13-15,19H,3,6-9,11-12,16-18H2,1-2H3
• InChIKey: UMSJLMAKYOBFMG-UHFFFAOYSA-N
• XLogP: 21.95
• TPSA: 444.52 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 46
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2426.36
LogP ≤ 5	21.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

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-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one?

The IUPAC name of 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one (CID 161135353) is 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one.

What is the SMILES notation for 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one?

The canonical SMILES for 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one is COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)on4)c(Cl)c3)ccnc2cc1OCCC(=O)N1CCC2(CC1)COC2.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)on4)c(Cl)c3)ccnc2cc1OCCCN1CCC2(COC2)C1.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)on4)c(Cl)c3)ncnc2cc1OCCC(=O)N1CCC2(CC1)COC2.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)on4)c(Cl)c3)ncnc2cc1OCCCN1CCC2(COC2)C1.

What is the InChIKey of 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one?

The InChIKey is UMSJLMAKYOBFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34ClN3O7.C32H33ClN4O7.C32H34ClN3O6.C31H33ClN4O6/c1-21-13-23(36-44-21)15-24(38)14-22-3-4-25(16-27(22)34)43-29-5-9-35-28-18-31(30(40-2)17-26(28)29)42-12-6-32(39)37-10-7-33(8-11-37)19-41-20-33;1-20-11-22(36-44-20)13-23(38)12-21-3-4-24(14-26(21)33)43-31-25-15-28(40-2)29(16-27(25)34-19-35-31)42-10-5-30(39)37-8-6-32(7-9-37)17-41-18-32;1-21-12-23(35-42-21)14-24(37)13-22-4-5-25(15-27(22)33)41-29-6-8-34-28-17-31(30(38-2)16-26(28)29)40-11-3-9-36-10-7-32(18-36)19-39-20-32;1-20-10-22(35-42-20)12-23(37)11-21-4-5-24(13-26(21)32)41-30-25-14-28(38-2)29(15-27(25)33-19-34-30)40-9-3-7-36-8-6-31(16-36)17-39-18-31/h3-5,9,13,16-18H,6-8,10-12,14-15,19-20H2,1-2H3;3-4,11,14-16,19H,5-10,12-13,17-18H2,1-2H3;4-6,8,12,15-17H,3,7,9-11,13-14,18-20H2,1-2H3;4-5,10,13-15,19H,3,6-9,11-12,16-18H2,1-2H3.

What are the key properties of 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one?

1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one has a molecular weight of 2426.36 g/mol, XLogP of 21.95, 46 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;3-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one is sourced from PubChem (CID 161135353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).