6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(propylamino)ethoxy]quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-propylsulfanylethoxy)quinazolin-4-amine;1,2-dibromoethane;propan-1-amine;propane-1-thiol

C80H89Br3Cl4F4N14O8S2 — CID 161343603

About 6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(propylamino)ethoxy]quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-propylsulfanylethoxy)quinazolin-4-amine;1,2-dibromoethane;propan-1-amine;propane-1-thiol

6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(propylamino)ethoxy]quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-propylsulfanylethoxy)quinazolin-4-amine;1,2-dibromoethane;propan-1-amine;propane-1-thiol (PubChem CID 161343603) has the molecular formula C80H89Br3Cl4F4N14O8S2 and a molecular weight of 1896.33 g/mol. Its IUPAC name is 6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(propylamino)ethoxy]quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-propylsulfanylethoxy)quinazolin-4-amine;1,2-dibromoethane;propan-1-amine;propane-1-thiol.

Molecular Properties

• Compound Name: 6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(propylamino)ethoxy]quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-propylsulfanylethoxy)quinazolin-4-amine;1,2-dibromoethane;propan-1-amine;propane-1-thiol
• PubChem CID: 161343603
• Molecular Formula: C80H89Br3Cl4F4N14O8S2
• Molecular Weight: 1896.33 g/mol
• Exact Mass: 1890.27
• IUPAC Name: 6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(propylamino)ethoxy]quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-propylsulfanylethoxy)quinazolin-4-amine;1,2-dibromoethane;propan-1-amine;propane-1-thiol
• SMILES: BrCCBr.CCCN.CCCNCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC.CCCS.CCCSCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCBr
• InChI: InChI=1S/C20H22ClFN4O2.C20H21ClFN3O2S.C17H14BrClFN3O2.C15H11ClFN3O2.C3H9N.C3H8S.C2H4Br2/c1-3-6-23-7-8-28-19-10-14-17(11-18(19)27-2)24-12-25-20(14)26-13-4-5-16(22)15(21)9-13;1-3-7-28-8-6-27-19-10-14-17(11-18(19)26-2)23-12-24-20(14)25-13-4-5-16(22)15(21)9-13;1-24-15-8-14-11(7-16(15)25-5-4-18)17(22-9-21-14)23-10-2-3-13(20)12(19)6-10;1-22-14-6-12-9(5-13(14)21)15(19-7-18-12)20-8-2-3-11(17)10(16)4-8;2*1-2-3-4;3-1-2-4/h4-5,9-12,23H,3,6-8H2,1-2H3,(H,24,25,26);4-5,9-12H,3,6-8H2,1-2H3,(H,23,24,25);2-3,6-9H,4-5H2,1H3,(H,21,22,23);2-7,21H,1H3,(H,18,19,20);2-4H2,1H3;4H,2-3H2,1H3;1-2H2
• InChIKey: VMZSEWSTQDFSOF-UHFFFAOYSA-N
• XLogP: 22.54
• TPSA: 274.13 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1896.33
LogP ≤ 5	22.54
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(propylamino)ethoxy]quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-propylsulfanylethoxy)quinazolin-4-amine;1,2-dibromoethane;propan-1-amine;propane-1-thiol?

The IUPAC name of 6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(propylamino)ethoxy]quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-propylsulfanylethoxy)quinazolin-4-amine;1,2-dibromoethane;propan-1-amine;propane-1-thiol (CID 161343603) is 6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(propylamino)ethoxy]quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-propylsulfanylethoxy)quinazolin-4-amine;1,2-dibromoethane;propan-1-amine;propane-1-thiol.

What is the SMILES notation for 6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(propylamino)ethoxy]quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-propylsulfanylethoxy)quinazolin-4-amine;1,2-dibromoethane;propan-1-amine;propane-1-thiol?

The canonical SMILES for 6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(propylamino)ethoxy]quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-propylsulfanylethoxy)quinazolin-4-amine;1,2-dibromoethane;propan-1-amine;propane-1-thiol is BrCCBr.CCCN.CCCNCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC.CCCS.CCCSCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCBr.

What is the InChIKey of 6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(propylamino)ethoxy]quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-propylsulfanylethoxy)quinazolin-4-amine;1,2-dibromoethane;propan-1-amine;propane-1-thiol?

The InChIKey is VMZSEWSTQDFSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4O2.C20H21ClFN3O2S.C17H14BrClFN3O2.C15H11ClFN3O2.C3H9N.C3H8S.C2H4Br2/c1-3-6-23-7-8-28-19-10-14-17(11-18(19)27-2)24-12-25-20(14)26-13-4-5-16(22)15(21)9-13;1-3-7-28-8-6-27-19-10-14-17(11-18(19)26-2)23-12-24-20(14)25-13-4-5-16(22)15(21)9-13;1-24-15-8-14-11(7-16(15)25-5-4-18)17(22-9-21-14)23-10-2-3-13(20)12(19)6-10;1-22-14-6-12-9(5-13(14)21)15(19-7-18-12)20-8-2-3-11(17)10(16)4-8;2*1-2-3-4;3-1-2-4/h4-5,9-12,23H,3,6-8H2,1-2H3,(H,24,25,26);4-5,9-12H,3,6-8H2,1-2H3,(H,23,24,25);2-3,6-9H,4-5H2,1H3,(H,21,22,23);2-7,21H,1H3,(H,18,19,20);2-4H2,1H3;4H,2-3H2,1H3;1-2H2.

What are the key properties of 6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(propylamino)ethoxy]quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-propylsulfanylethoxy)quinazolin-4-amine;1,2-dibromoethane;propan-1-amine;propane-1-thiol?

6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(propylamino)ethoxy]quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-propylsulfanylethoxy)quinazolin-4-amine;1,2-dibromoethane;propan-1-amine;propane-1-thiol has a molecular weight of 1896.33 g/mol, XLogP of 22.54, 30 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(propylamino)ethoxy]quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-propylsulfanylethoxy)quinazolin-4-amine;1,2-dibromoethane;propan-1-amine;propane-1-thiol is sourced from PubChem (CID 161343603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).