potassium;6-(2-aminoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;2-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]isoindole-1,3-dione;diazene;isoindol-2-ide-1,3-dione;methane;molecular hydrogen;hydrate

C68H62BrCl3F3KN14O11 — CID 161191458

About potassium;6-(2-aminoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;2-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]isoindole-1,3-dione;diazene;isoindol-2-ide-1,3-dione;methane;molecular hydrogen;hydrate

potassium;6-(2-aminoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;2-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]isoindole-1,3-dione;diazene;isoindol-2-ide-1,3-dione;methane;molecular hydrogen;hydrate (PubChem CID 161191458) has the molecular formula C68H62BrCl3F3KN14O11 and a molecular weight of 1533.69 g/mol. Its IUPAC name is potassium;6-(2-aminoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;2-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]isoindole-1,3-dione;diazene;isoindol-2-ide-1,3-dione;methane;molecular hydrogen;hydrate.

Molecular Properties

• Compound Name: potassium;6-(2-aminoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;2-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]isoindole-1,3-dione;diazene;isoindol-2-ide-1,3-dione;methane;molecular hydrogen;hydrate
• PubChem CID: 161191458
• Molecular Formula: C68H62BrCl3F3KN14O11
• Molecular Weight: 1533.69 g/mol
• Exact Mass: 1530.26
• IUPAC Name: potassium;6-(2-aminoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;2-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]isoindole-1,3-dione;diazene;isoindol-2-ide-1,3-dione;methane;molecular hydrogen;hydrate
• SMILES: C.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCBr.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1C(=O)c2ccccc2C1=O.O.O=C1[N-]C(=O)c2ccccc21.[H]/N=N/[H].[H][H].[K+]
• InChI: InChI=1S/C25H18ClFN4O4.C17H14BrClFN3O2.C17H16ClFN4O2.C8H5NO2.CH4.K.H2N2.H2O.H2/c1-34-21-12-20-17(23(29-13-28-20)30-14-6-7-19(27)18(26)10-14)11-22(21)35-9-8-31-24(32)15-4-2-3-5-16(15)25(31)33;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;1-24-15-8-14-11(7-16(15)25-5-4-20)17(22-9-21-14)23-10-2-3-13(19)12(18)6-10;10-7-5-3-1-2-4-6(5)8(11)9-7;;;1-2;;/h2-7,10-13H,8-9H2,1H3,(H,28,29,30);2-3,6-9H,4-5H2,1H3,(H,21,22,23);2-3,6-9H,4-5,20H2,1H3,(H,21,22,23);1-4H,(H,9,10,11);1H4;;1-2H;1H2;1H/q;;;;;+1;;;/p-1/b;;;;;;2-1+
• InChIKey: HWNDZXFXUCHHON-YRSJTSKRSA-M
• XLogP: 12.32
• TPSA: 359.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1533.69
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;6-(2-aminoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;2-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]isoindole-1,3-dione;diazene;isoindol-2-ide-1,3-dione;methane;molecular hydrogen;hydrate?

The IUPAC name of potassium;6-(2-aminoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;2-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]isoindole-1,3-dione;diazene;isoindol-2-ide-1,3-dione;methane;molecular hydrogen;hydrate (CID 161191458) is potassium;6-(2-aminoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;2-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]isoindole-1,3-dione;diazene;isoindol-2-ide-1,3-dione;methane;molecular hydrogen;hydrate.

What is the SMILES notation for potassium;6-(2-aminoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;2-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]isoindole-1,3-dione;diazene;isoindol-2-ide-1,3-dione;methane;molecular hydrogen;hydrate?

The canonical SMILES for potassium;6-(2-aminoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;2-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]isoindole-1,3-dione;diazene;isoindol-2-ide-1,3-dione;methane;molecular hydrogen;hydrate is C.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCBr.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1C(=O)c2ccccc2C1=O.O.O=C1[N-]C(=O)c2ccccc21.[H]/N=N/[H].[H][H].[K+].

What is the InChIKey of potassium;6-(2-aminoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;2-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]isoindole-1,3-dione;diazene;isoindol-2-ide-1,3-dione;methane;molecular hydrogen;hydrate?

The InChIKey is HWNDZXFXUCHHON-YRSJTSKRSA-M. The full InChI is InChI=1S/C25H18ClFN4O4.C17H14BrClFN3O2.C17H16ClFN4O2.C8H5NO2.CH4.K.H2N2.H2O.H2/c1-34-21-12-20-17(23(29-13-28-20)30-14-6-7-19(27)18(26)10-14)11-22(21)35-9-8-31-24(32)15-4-2-3-5-16(15)25(31)33;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;1-24-15-8-14-11(7-16(15)25-5-4-20)17(22-9-21-14)23-10-2-3-13(19)12(18)6-10;10-7-5-3-1-2-4-6(5)8(11)9-7;;;1-2;;/h2-7,10-13H,8-9H2,1H3,(H,28,29,30);2-3,6-9H,4-5H2,1H3,(H,21,22,23);2-3,6-9H,4-5,20H2,1H3,(H,21,22,23);1-4H,(H,9,10,11);1H4;;1-2H;1H2;1H/q;;;;;+1;;;/p-1/b;;;;;;2-1+;;.

What are the key properties of potassium;6-(2-aminoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;2-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]isoindole-1,3-dione;diazene;isoindol-2-ide-1,3-dione;methane;molecular hydrogen;hydrate?

potassium;6-(2-aminoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;2-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]isoindole-1,3-dione;diazene;isoindol-2-ide-1,3-dione;methane;molecular hydrogen;hydrate has a molecular weight of 1533.69 g/mol, XLogP of 12.32, 19 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;6-(2-aminoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine;2-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]isoindole-1,3-dione;diazene;isoindol-2-ide-1,3-dione;methane;molecular hydrogen;hydrate is sourced from PubChem (CID 161191458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).