1-[bromo(dideuterio)methyl]-2,3,4,6-tetradeuterio-5-fluorobenzene;tert-butyl N-[[5-[4-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl N-[[5-[4-(3-chloro-4-hydroxyanilino)quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]phenyl]-6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-amine;2-chloro-4-[[6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-yl]amino]phenol;oxolane

C133H142BrCl4F3N16O18 — CID 162178758

About 1-[bromo(dideuterio)methyl]-2,3,4,6-tetradeuterio-5-fluorobenzene;tert-butyl N-[[5-[4-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl N-[[5-[4-(3-chloro-4-hydroxyanilino)quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]phenyl]-6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-amine;2-chloro-4-[[6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-yl]amino]phenol;oxolane

1-[bromo(dideuterio)methyl]-2,3,4,6-tetradeuterio-5-fluorobenzene;tert-butyl N-[[5-[4-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl N-[[5-[4-(3-chloro-4-hydroxyanilino)quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]phenyl]-6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-amine;2-chloro-4-[[6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-yl]amino]phenol;oxolane (PubChem CID 162178758) has the molecular formula C133H142BrCl4F3N16O18 and a molecular weight of 2549.51 g/mol. Its IUPAC name is 1-[bromo(dideuterio)methyl]-2,3,4,6-tetradeuterio-5-fluorobenzene;tert-butyl N-[[5-[4-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl N-[[5-[4-(3-chloro-4-hydroxyanilino)quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]phenyl]-6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-amine;2-chloro-4-[[6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-yl]amino]phenol;oxolane.

Molecular Properties

• Compound Name: 1-[bromo(dideuterio)methyl]-2,3,4,6-tetradeuterio-5-fluorobenzene;tert-butyl N-[[5-[4-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl N-[[5-[4-(3-chloro-4-hydroxyanilino)quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]phenyl]-6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-amine;2-chloro-4-[[6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-yl]amino]phenol;oxolane
• PubChem CID: 162178758
• Molecular Formula: C133H142BrCl4F3N16O18
• Molecular Weight: 2549.51 g/mol
• Exact Mass: 2544.97
• IUPAC Name: 1-[bromo(dideuterio)methyl]-2,3,4,6-tetradeuterio-5-fluorobenzene;tert-butyl N-[[5-[4-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl N-[[5-[4-(3-chloro-4-hydroxyanilino)quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]phenyl]-6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-amine;2-chloro-4-[[6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-yl]amino]phenol;oxolane
• SMILES: C1CCOC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCCN(Cc1ccc(-c2ccc3ncnc(Nc4ccc(O)c(Cl)c4)c3c2)o1)C(=O)OC(C)(C)C.CCCNCc1ccc(-c2ccc3ncnc(Nc4ccc(O)c(Cl)c4)c3c2)o1.[2H]c1c([2H])c(F)c([2H])c(C([2H])([2H])Br)c1[2H].[2H]c1c([2H])c(F)c([2H])c(C([2H])([2H])Oc2ccc(Nc3ncnc4ccc(-c5ccc(CN(CCC)C(=O)OC(C)(C)C)o5)cc34)cc2Cl)c1[2H].[2H]c1c([2H])c(F)c([2H])c(C([2H])([2H])Oc2ccc(Nc3ncnc4ccc(-c5ccc(CNCCC)o5)cc34)cc2Cl)c1[2H]
• InChI: InChI=1S/C34H34ClFN4O4.C29H26ClFN4O2.C27H29ClN4O4.C22H21ClN4O2.C10H18O5.C7H6BrF.C4H8O/c1-5-15-40(33(41)44-34(2,3)4)19-26-11-14-30(43-26)23-9-12-29-27(17-23)32(38-21-37-29)39-25-10-13-31(28(35)18-25)42-20-22-7-6-8-24(36)16-22;1-2-12-32-16-23-8-11-27(37-23)20-6-9-26-24(14-20)29(34-18-33-26)35-22-7-10-28(25(30)15-22)36-17-19-4-3-5-21(31)13-19;1-5-12-32(26(34)36-27(2,3)4)15-19-8-11-24(35-19)17-6-9-22-20(13-17)25(30-16-29-22)31-18-7-10-23(33)21(28)14-18;1-2-9-24-12-16-5-8-21(29-16)14-3-6-19-17(10-14)22(26-13-25-19)27-15-4-7-20(28)18(23)11-15;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;8-5-6-2-1-3-7(9)4-6;1-2-4-5-3-1/h6-14,16-18,21H,5,15,19-20H2,1-4H3,(H,37,38,39);3-11,13-15,18,32H,2,12,16-17H2,1H3,(H,33,34,35);6-11,13-14,16,33H,5,12,15H2,1-4H3,(H,29,30,31);3-8,10-11,13,24,28H,2,9,12H2,1H3,(H,25,26,27);1-6H3;1-4H,5H2;1-4H2/i6D,7D,8D,16D,20D2;3D,4D,5D,13D,17D2;;;;1D,2D,3D,4D,5D2
• InChIKey: ZOSWIRYXELBRFE-KNNKRKBTSA-N
• XLogP: 35.68
• TPSA: 416.92 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 35
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2549.51
LogP ≤ 5	35.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(dideuterio)methyl]-2,3,4,6-tetradeuterio-5-fluorobenzene;tert-butyl N-[[5-[4-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl N-[[5-[4-(3-chloro-4-hydroxyanilino)quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]phenyl]-6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-amine;2-chloro-4-[[6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-yl]amino]phenol;oxolane?

The IUPAC name of 1-[bromo(dideuterio)methyl]-2,3,4,6-tetradeuterio-5-fluorobenzene;tert-butyl N-[[5-[4-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl N-[[5-[4-(3-chloro-4-hydroxyanilino)quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]phenyl]-6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-amine;2-chloro-4-[[6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-yl]amino]phenol;oxolane (CID 162178758) is 1-[bromo(dideuterio)methyl]-2,3,4,6-tetradeuterio-5-fluorobenzene;tert-butyl N-[[5-[4-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl N-[[5-[4-(3-chloro-4-hydroxyanilino)quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]phenyl]-6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-amine;2-chloro-4-[[6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-yl]amino]phenol;oxolane.

What is the SMILES notation for 1-[bromo(dideuterio)methyl]-2,3,4,6-tetradeuterio-5-fluorobenzene;tert-butyl N-[[5-[4-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl N-[[5-[4-(3-chloro-4-hydroxyanilino)quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]phenyl]-6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-amine;2-chloro-4-[[6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-yl]amino]phenol;oxolane?

The canonical SMILES for 1-[bromo(dideuterio)methyl]-2,3,4,6-tetradeuterio-5-fluorobenzene;tert-butyl N-[[5-[4-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl N-[[5-[4-(3-chloro-4-hydroxyanilino)quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]phenyl]-6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-amine;2-chloro-4-[[6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-yl]amino]phenol;oxolane is C1CCOC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCCN(Cc1ccc(-c2ccc3ncnc(Nc4ccc(O)c(Cl)c4)c3c2)o1)C(=O)OC(C)(C)C.CCCNCc1ccc(-c2ccc3ncnc(Nc4ccc(O)c(Cl)c4)c3c2)o1.[2H]c1c([2H])c(F)c([2H])c(C([2H])([2H])Br)c1[2H].[2H]c1c([2H])c(F)c([2H])c(C([2H])([2H])Oc2ccc(Nc3ncnc4ccc(-c5ccc(CN(CCC)C(=O)OC(C)(C)C)o5)cc34)cc2Cl)c1[2H].[2H]c1c([2H])c(F)c([2H])c(C([2H])([2H])Oc2ccc(Nc3ncnc4ccc(-c5ccc(CNCCC)o5)cc34)cc2Cl)c1[2H].

What is the InChIKey of 1-[bromo(dideuterio)methyl]-2,3,4,6-tetradeuterio-5-fluorobenzene;tert-butyl N-[[5-[4-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl N-[[5-[4-(3-chloro-4-hydroxyanilino)quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]phenyl]-6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-amine;2-chloro-4-[[6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-yl]amino]phenol;oxolane?

The InChIKey is ZOSWIRYXELBRFE-KNNKRKBTSA-N. The full InChI is InChI=1S/C34H34ClFN4O4.C29H26ClFN4O2.C27H29ClN4O4.C22H21ClN4O2.C10H18O5.C7H6BrF.C4H8O/c1-5-15-40(33(41)44-34(2,3)4)19-26-11-14-30(43-26)23-9-12-29-27(17-23)32(38-21-37-29)39-25-10-13-31(28(35)18-25)42-20-22-7-6-8-24(36)16-22;1-2-12-32-16-23-8-11-27(37-23)20-6-9-26-24(14-20)29(34-18-33-26)35-22-7-10-28(25(30)15-22)36-17-19-4-3-5-21(31)13-19;1-5-12-32(26(34)36-27(2,3)4)15-19-8-11-24(35-19)17-6-9-22-20(13-17)25(30-16-29-22)31-18-7-10-23(33)21(28)14-18;1-2-9-24-12-16-5-8-21(29-16)14-3-6-19-17(10-14)22(26-13-25-19)27-15-4-7-20(28)18(23)11-15;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;8-5-6-2-1-3-7(9)4-6;1-2-4-5-3-1/h6-14,16-18,21H,5,15,19-20H2,1-4H3,(H,37,38,39);3-11,13-15,18,32H,2,12,16-17H2,1H3,(H,33,34,35);6-11,13-14,16,33H,5,12,15H2,1-4H3,(H,29,30,31);3-8,10-11,13,24,28H,2,9,12H2,1H3,(H,25,26,27);1-6H3;1-4H,5H2;1-4H2/i6D,7D,8D,16D,20D2;3D,4D,5D,13D,17D2;;;;1D,2D,3D,4D,5D2;.

What are the key properties of 1-[bromo(dideuterio)methyl]-2,3,4,6-tetradeuterio-5-fluorobenzene;tert-butyl N-[[5-[4-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl N-[[5-[4-(3-chloro-4-hydroxyanilino)quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]phenyl]-6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-amine;2-chloro-4-[[6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-yl]amino]phenol;oxolane?

1-[bromo(dideuterio)methyl]-2,3,4,6-tetradeuterio-5-fluorobenzene;tert-butyl N-[[5-[4-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl N-[[5-[4-(3-chloro-4-hydroxyanilino)quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]phenyl]-6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-amine;2-chloro-4-[[6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-yl]amino]phenol;oxolane has a molecular weight of 2549.51 g/mol, XLogP of 35.68, 35 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[bromo(dideuterio)methyl]-2,3,4,6-tetradeuterio-5-fluorobenzene;tert-butyl N-[[5-[4-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl N-[[5-[4-(3-chloro-4-hydroxyanilino)quinazolin-6-yl]furan-2-yl]methyl]-N-propylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N-[3-chloro-4-[dideuterio-(2,3,4,6-tetradeuterio-5-fluorophenyl)methoxy]phenyl]-6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-amine;2-chloro-4-[[6-[5-(propylaminomethyl)furan-2-yl]quinazolin-4-yl]amino]phenol;oxolane is sourced from PubChem (CID 162178758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).