1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[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)butan-1-one;4-[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)butan-1-one

C130H132Cl4F2N10O26 — CID 157264861

About 1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[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)butan-1-one;4-[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)butan-1-one

1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[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)butan-1-one;4-[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)butan-1-one (PubChem CID 157264861) has the molecular formula C130H132Cl4F2N10O26 and a molecular weight of 2430.34 g/mol. Its IUPAC name is 1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[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)butan-1-one;4-[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)butan-1-one.

Molecular Properties

• Compound Name: 1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[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)butan-1-one;4-[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)butan-1-one
• PubChem CID: 157264861
• Molecular Formula: C130H132Cl4F2N10O26
• Molecular Weight: 2430.34 g/mol
• Exact Mass: 2426.80
• IUPAC Name: 1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[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)butan-1-one;4-[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)butan-1-one
• SMILES: COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)c(Cl)c3)ccnc2cc1OCCCOC1COC1.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)c(Cl)c3)ncnc2cc1OCCCOC1COC1.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)on4)c(Cl)c3)ccnc2cc1OCCCC(=O)N1CCC2(CC1)COC2.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)on4)c(Cl)c3)ncnc2cc1OCCCC(=O)N1CCC2(CC1)COC2
• InChI: InChI=1S/C34H36ClN3O7.C33H35ClN4O7.C32H31ClFNO6.C31H30ClFN2O6/c1-22-14-24(37-45-22)16-25(39)15-23-5-6-26(17-28(23)35)44-30-7-10-36-29-19-32(31(41-2)18-27(29)30)43-13-3-4-33(40)38-11-8-34(9-12-38)20-42-21-34;1-21-12-23(37-45-21)14-24(39)13-22-5-6-25(15-27(22)34)44-32-26-16-29(41-2)30(17-28(26)35-20-36-32)43-11-3-4-31(40)38-9-7-33(8-10-38)18-42-19-33;1-20-4-7-28(34)22(12-20)14-23(36)13-21-5-6-24(15-27(21)33)41-30-8-9-35-29-17-32(31(37-2)16-26(29)30)40-11-3-10-39-25-18-38-19-25;1-19-4-7-27(33)21(10-19)12-22(36)11-20-5-6-23(13-26(20)32)41-31-25-14-29(37-2)30(15-28(25)34-18-35-31)40-9-3-8-39-24-16-38-17-24/h5-7,10,14,17-19H,3-4,8-9,11-13,15-16,20-21H2,1-2H3;5-6,12,15-17,20H,3-4,7-11,13-14,18-19H2,1-2H3;4-9,12,15-17,25H,3,10-11,13-14,18-19H2,1-2H3;4-7,10,13-15,18,24H,3,8-9,11-12,16-17H2,1-2H3
• InChIKey: AXWNERUDGKKDIE-UHFFFAOYSA-N
• XLogP: 24.42
• TPSA: 404.44 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 50
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2430.34
LogP ≤ 5	24.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

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-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[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)butan-1-one;4-[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)butan-1-one?

The IUPAC name of 1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[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)butan-1-one;4-[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)butan-1-one (CID 157264861) is 1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[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)butan-1-one;4-[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)butan-1-one.

What is the SMILES notation for 1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[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)butan-1-one;4-[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)butan-1-one?

The canonical SMILES for 1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[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)butan-1-one;4-[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)butan-1-one is COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)c(Cl)c3)ccnc2cc1OCCCOC1COC1.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)c(Cl)c3)ncnc2cc1OCCCOC1COC1.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)on4)c(Cl)c3)ccnc2cc1OCCCC(=O)N1CCC2(CC1)COC2.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)on4)c(Cl)c3)ncnc2cc1OCCCC(=O)N1CCC2(CC1)COC2.

What is the InChIKey of 1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[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)butan-1-one;4-[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)butan-1-one?

The InChIKey is AXWNERUDGKKDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36ClN3O7.C33H35ClN4O7.C32H31ClFNO6.C31H30ClFN2O6/c1-22-14-24(37-45-22)16-25(39)15-23-5-6-26(17-28(23)35)44-30-7-10-36-29-19-32(31(41-2)18-27(29)30)43-13-3-4-33(40)38-11-8-34(9-12-38)20-42-21-34;1-21-12-23(37-45-21)14-24(39)13-22-5-6-25(15-27(22)34)44-32-26-16-29(41-2)30(17-28(26)35-20-36-32)43-11-3-4-31(40)38-9-7-33(8-10-38)18-42-19-33;1-20-4-7-28(34)22(12-20)14-23(36)13-21-5-6-24(15-27(21)33)41-30-8-9-35-29-17-32(31(37-2)16-26(29)30)40-11-3-10-39-25-18-38-19-25;1-19-4-7-27(33)21(10-19)12-22(36)11-20-5-6-23(13-26(20)32)41-31-25-14-29(37-2)30(15-28(25)34-18-35-31)40-9-3-8-39-24-16-38-17-24/h5-7,10,14,17-19H,3-4,8-9,11-13,15-16,20-21H2,1-2H3;5-6,12,15-17,20H,3-4,7-11,13-14,18-19H2,1-2H3;4-9,12,15-17,25H,3,10-11,13-14,18-19H2,1-2H3;4-7,10,13-15,18,24H,3,8-9,11-12,16-17H2,1-2H3.

What are the key properties of 1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[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)butan-1-one;4-[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)butan-1-one?

1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[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)butan-1-one;4-[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)butan-1-one has a molecular weight of 2430.34 g/mol, XLogP of 24.42, 50 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[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)butan-1-one;4-[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)butan-1-one is sourced from PubChem (CID 157264861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).