1-[2-chloro-4-[7-(3-chloropropoxy)-6-methylquinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)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-(2-fluoro-5-methylphenyl)propan-2-one

C63H62Cl3F2N5O7 — CID 158958068

About 1-[2-chloro-4-[7-(3-chloropropoxy)-6-methylquinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)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-(2-fluoro-5-methylphenyl)propan-2-one

1-[2-chloro-4-[7-(3-chloropropoxy)-6-methylquinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)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-(2-fluoro-5-methylphenyl)propan-2-one (PubChem CID 158958068) has the molecular formula C63H62Cl3F2N5O7 and a molecular weight of 1145.57 g/mol. Its IUPAC name is 1-[2-chloro-4-[7-(3-chloropropoxy)-6-methylquinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)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-(2-fluoro-5-methylphenyl)propan-2-one.

Molecular Properties

• Compound Name: 1-[2-chloro-4-[7-(3-chloropropoxy)-6-methylquinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)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-(2-fluoro-5-methylphenyl)propan-2-one
• PubChem CID: 158958068
• Molecular Formula: C63H62Cl3F2N5O7
• Molecular Weight: 1145.57 g/mol
• Exact Mass: 1143.37
• IUPAC Name: 1-[2-chloro-4-[7-(3-chloropropoxy)-6-methylquinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)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-(2-fluoro-5-methylphenyl)propan-2-one
• SMILES: Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ncnc4cc(OCCCCl)c(C)cc34)cc2Cl)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ncnc4cc(OCCCN5CCC6(CC5)COC6)c(C)cc34)cc2Cl)c1
• InChI: InChI=1S/C35H37ClFN3O4.C28H25Cl2FN2O3/c1-23-4-7-31(37)26(14-23)17-27(41)16-25-5-6-28(18-30(25)36)44-34-29-15-24(2)33(19-32(29)38-22-39-34)43-13-3-10-40-11-8-35(9-12-40)20-42-21-35;1-17-4-7-25(31)20(10-17)13-21(34)12-19-5-6-22(14-24(19)30)36-28-23-11-18(2)27(35-9-3-8-29)15-26(23)32-16-33-28/h4-7,14-15,18-19,22H,3,8-13,16-17,20-21H2,1-2H3;4-7,10-11,14-16H,3,8-9,12-13H2,1-2H3
• InChIKey: JMGMYZMRBLSBOU-UHFFFAOYSA-N
• XLogP: 14.26
• TPSA: 135.09 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1145.57
LogP ≤ 5	14.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[7-(3-chloropropoxy)-6-methylquinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)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-(2-fluoro-5-methylphenyl)propan-2-one?

The IUPAC name of 1-[2-chloro-4-[7-(3-chloropropoxy)-6-methylquinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)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-(2-fluoro-5-methylphenyl)propan-2-one (CID 158958068) is 1-[2-chloro-4-[7-(3-chloropropoxy)-6-methylquinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)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-(2-fluoro-5-methylphenyl)propan-2-one.

What is the SMILES notation for 1-[2-chloro-4-[7-(3-chloropropoxy)-6-methylquinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)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-(2-fluoro-5-methylphenyl)propan-2-one?

The canonical SMILES for 1-[2-chloro-4-[7-(3-chloropropoxy)-6-methylquinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)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-(2-fluoro-5-methylphenyl)propan-2-one is Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ncnc4cc(OCCCCl)c(C)cc34)cc2Cl)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ncnc4cc(OCCCN5CCC6(CC5)COC6)c(C)cc34)cc2Cl)c1.

What is the InChIKey of 1-[2-chloro-4-[7-(3-chloropropoxy)-6-methylquinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)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-(2-fluoro-5-methylphenyl)propan-2-one?

The InChIKey is JMGMYZMRBLSBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37ClFN3O4.C28H25Cl2FN2O3/c1-23-4-7-31(37)26(14-23)17-27(41)16-25-5-6-28(18-30(25)36)44-34-29-15-24(2)33(19-32(29)38-22-39-34)43-13-3-10-40-11-8-35(9-12-40)20-42-21-35;1-17-4-7-25(31)20(10-17)13-21(34)12-19-5-6-22(14-24(19)30)36-28-23-11-18(2)27(35-9-3-8-29)15-26(23)32-16-33-28/h4-7,14-15,18-19,22H,3,8-13,16-17,20-21H2,1-2H3;4-7,10-11,14-16H,3,8-9,12-13H2,1-2H3.

What are the key properties of 1-[2-chloro-4-[7-(3-chloropropoxy)-6-methylquinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)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-(2-fluoro-5-methylphenyl)propan-2-one?

1-[2-chloro-4-[7-(3-chloropropoxy)-6-methylquinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)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-(2-fluoro-5-methylphenyl)propan-2-one has a molecular weight of 1145.57 g/mol, XLogP of 14.26, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-chloro-4-[7-(3-chloropropoxy)-6-methylquinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)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-(2-fluoro-5-methylphenyl)propan-2-one is sourced from PubChem (CID 158958068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).