2-(bromomethyl)oxirane;3-chloro-4-fluoroaniline;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-ol;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-one;N-(3-chloro-4-fluorophenyl)-6-(2-ethoxy-3-morpholin-4-ylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[2-(ethylamino)-3-morpholin-4-ylpropoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(oxiran-2-ylmethoxy)quinazolin-4-amine;(4-chloro-7-methoxyquinazolin-6-yl) acetate;6,7-dimethoxy-3H-quinazolin-4-one;ethanamine;6-hydroxy-7-methoxy-3H-quinazolin-4-one;(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate;propane

C197H204BrCl9F8N36O37 — CID 158037087

IUPAC2-(bromomethyl)oxirane;3-chloro-4-fluoroaniline;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-ol;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-one;N-(3-chloro-4-fluorophenyl)-6-(2-ethoxy-3-morpholin-4-ylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[2-(ethylamino)-3-morpholin-4-ylpropoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(oxiran-2-ylmethoxy)quinazolin-4-amine;(4-chloro-7-methoxyquinazolin-6-yl) acetate;6,7-dimethoxy-3H-quinazolin-4-one;ethanamine;6-hydroxy-7-methoxy-3H-quinazolin-4-one;(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate;propane
SMILESBrCC1CO1.CCC.CCN.CCNC(COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)CN1CCOCC1.CCOC(COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)CN1CCOCC1.COc1cc2nc[nH]c(=O)c2cc1O.COc1cc2nc[nH]c(=O)c2cc1OC.COc1cc2nc[nH]c(=O)c2cc1OC(C)=O.COc1cc2ncnc(Cl)c2cc1OC(C)=O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(C)=O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(=O)CN1CCOCC1.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(O)CN1CCOCC1.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC1CO1.Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C24H29ClFN5O3.C24H28ClFN4O4.C22H24ClFN4O4.C22H22ClFN4O4.C18H15ClFN3O3.C17H13ClFN3O3.C15H11ClFN3O2.C11H9ClN2O3.C11H10N2O4.C10H10N2O3.C9H8N2O3.C6H5ClFN.C3H5BrO.C3H8.C2H7N/c1-3-27-17(13-31-6-8-33-9-7-31)14-34-23-11-18-21(12-22(23)32-2)28-15-29-24(18)30-16-4-5-20(26)19(25)10-16;1-3-33-17(13-30-6-8-32-9-7-30)14-34-23-11-18-21(12-22(23)31-2)27-15-28-24(18)29-16-4-5-20(26)19(25)10-16;2*1-30-20-10-19-16(9-21(20)32-12-15(29)11-28-4-6-31-7-5-28)22(26-13-25-19)27-14-2-3-18(24)17(23)8-14;1-24-16-6-15-12(5-17(16)26-8-11-7-25-11)18(22-9-21-15)23-10-2-3-14(20)13(19)4-10;1-9(23)25-16-6-11-14(7-15(16)24-2)20-8-21-17(11)22-10-3-4-13(19)12(18)5-10;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;1-6(15)17-10-3-7-8(4-9(10)16-2)13-5-14-11(7)12;1-6(14)17-10-3-7-8(4-9(10)16-2)12-5-13-11(7)15;1-14-8-3-6-7(4-9(8)15-2)11-5-12-10(6)13;1-14-8-3-6-5(2-7(8)12)9(13)11-4-10-6;7-5-3-4(9)1-2-6(5)8;4-1-3-2-5-3;1-3-2;1-2-3/h4-5,10-12,15,17,27H,3,6-9,13-14H2,1-2H3,(H,28,29,30);4-5,10-12,15,17H,3,6-9,13-14H2,1-2H3,(H,27,28,29);2-3,8-10,13,15,29H,4-7,11-12H2,1H3,(H,25,26,27);2-3,8-10,13H,4-7,11-12H2,1H3,(H,25,26,27);2-6,9,11H,7-8H2,1H3,(H,21,22,23);3-8H,1-2H3,(H,20,21,22);2-7,21H,1H3,(H,18,19,20);3-5H,1-2H3;3-5H,1-2H3,(H,12,13,15);3-5H,1-2H3,(H,11,12,13);2-4,12H,1H3,(H,10,11,13);1-3H,9H2;3H,1-2H2;3H2,1-2H3;2-3H2,1H3
InChIKeyFHWQPRRHENWVKW-UHFFFAOYSA-N
MW4218.98 g/mol
LogP35.66
Rot. Bonds57

About 2-(bromomethyl)oxirane;3-chloro-4-fluoroaniline;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-ol;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-one;N-(3-chloro-4-fluorophenyl)-6-(2-ethoxy-3-morpholin-4-ylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[2-(ethylamino)-3-morpholin-4-ylpropoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(oxiran-2-ylmethoxy)quinazolin-4-amine;(4-chloro-7-methoxyquinazolin-6-yl) acetate;6,7-dimethoxy-3H-quinazolin-4-one;ethanamine;6-hydroxy-7-methoxy-3H-quinazolin-4-one;(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate;propane

2-(bromomethyl)oxirane;3-chloro-4-fluoroaniline;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-ol;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-one;N-(3-chloro-4-fluorophenyl)-6-(2-ethoxy-3-morpholin-4-ylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[2-(ethylamino)-3-morpholin-4-ylpropoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(oxiran-2-ylmethoxy)quinazolin-4-amine;(4-chloro-7-methoxyquinazolin-6-yl) acetate;6,7-dimethoxy-3H-quinazolin-4-one;ethanamine;6-hydroxy-7-methoxy-3H-quinazolin-4-one;(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate;propane (PubChem CID 158037087) has the molecular formula C197H204BrCl9F8N36O37 and a molecular weight of 4218.98 g/mol. Its IUPAC name is 2-(bromomethyl)oxirane;3-chloro-4-fluoroaniline;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-ol;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-one;N-(3-chloro-4-fluorophenyl)-6-(2-ethoxy-3-morpholin-4-ylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[2-(ethylamino)-3-morpholin-4-ylpropoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(oxiran-2-ylmethoxy)quinazolin-4-amine;(4-chloro-7-methoxyquinazolin-6-yl) acetate;6,7-dimethoxy-3H-quinazolin-4-one;ethanamine;6-hydroxy-7-methoxy-3H-quinazolin-4-one;(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate;propane.

Molecular Properties

Compound Name2-(bromomethyl)oxirane;3-chloro-4-fluoroaniline;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-ol;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-one;N-(3-chloro-4-fluorophenyl)-6-(2-ethoxy-3-morpholin-4-ylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[2-(ethylamino)-3-morpholin-4-ylpropoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(oxiran-2-ylmethoxy)quinazolin-4-amine;(4-chloro-7-methoxyquinazolin-6-yl) acetate;6,7-dimethoxy-3H-quinazolin-4-one;ethanamine;6-hydroxy-7-methoxy-3H-quinazolin-4-one;(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate;propane
PubChem CID158037087
Molecular FormulaC197H204BrCl9F8N36O37
Molecular Weight4218.98 g/mol
Exact Mass4211.14
IUPAC Name2-(bromomethyl)oxirane;3-chloro-4-fluoroaniline;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-ol;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-one;N-(3-chloro-4-fluorophenyl)-6-(2-ethoxy-3-morpholin-4-ylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[2-(ethylamino)-3-morpholin-4-ylpropoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(oxiran-2-ylmethoxy)quinazolin-4-amine;(4-chloro-7-methoxyquinazolin-6-yl) acetate;6,7-dimethoxy-3H-quinazolin-4-one;ethanamine;6-hydroxy-7-methoxy-3H-quinazolin-4-one;(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate;propane
SMILESBrCC1CO1.CCC.CCN.CCNC(COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)CN1CCOCC1.CCOC(COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)CN1CCOCC1.COc1cc2nc[nH]c(=O)c2cc1O.COc1cc2nc[nH]c(=O)c2cc1OC.COc1cc2nc[nH]c(=O)c2cc1OC(C)=O.COc1cc2ncnc(Cl)c2cc1OC(C)=O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(C)=O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(=O)CN1CCOCC1.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(O)CN1CCOCC1.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC1CO1.Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C24H29ClFN5O3.C24H28ClFN4O4.C22H24ClFN4O4.C22H22ClFN4O4.C18H15ClFN3O3.C17H13ClFN3O3.C15H11ClFN3O2.C11H9ClN2O3.C11H10N2O4.C10H10N2O3.C9H8N2O3.C6H5ClFN.C3H5BrO.C3H8.C2H7N/c1-3-27-17(13-31-6-8-33-9-7-31)14-34-23-11-18-21(12-22(23)32-2)28-15-29-24(18)30-16-4-5-20(26)19(25)10-16;1-3-33-17(13-30-6-8-32-9-7-30)14-34-23-11-18-21(12-22(23)31-2)27-15-28-24(18)29-16-4-5-20(26)19(25)10-16;2*1-30-20-10-19-16(9-21(20)32-12-15(29)11-28-4-6-31-7-5-28)22(26-13-25-19)27-14-2-3-18(24)17(23)8-14;1-24-16-6-15-12(5-17(16)26-8-11-7-25-11)18(22-9-21-15)23-10-2-3-14(20)13(19)4-10;1-9(23)25-16-6-11-14(7-15(16)24-2)20-8-21-17(11)22-10-3-4-13(19)12(18)5-10;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;1-6(15)17-10-3-7-8(4-9(10)16-2)13-5-14-11(7)12;1-6(14)17-10-3-7-8(4-9(10)16-2)12-5-13-11(7)15;1-14-8-3-6-7(4-9(8)15-2)11-5-12-10(6)13;1-14-8-3-6-5(2-7(8)12)9(13)11-4-10-6;7-5-3-4(9)1-2-6(5)8;4-1-3-2-5-3;1-3-2;1-2-3/h4-5,10-12,15,17,27H,3,6-9,13-14H2,1-2H3,(H,28,29,30);4-5,10-12,15,17H,3,6-9,13-14H2,1-2H3,(H,27,28,29);2-3,8-10,13,15,29H,4-7,11-12H2,1H3,(H,25,26,27);2-3,8-10,13H,4-7,11-12H2,1H3,(H,25,26,27);2-6,9,11H,7-8H2,1H3,(H,21,22,23);3-8H,1-2H3,(H,20,21,22);2-7,21H,1H3,(H,18,19,20);3-5H,1-2H3;3-5H,1-2H3,(H,12,13,15);3-5H,1-2H3,(H,11,12,13);2-4,12H,1H3,(H,10,11,13);1-3H,9H2;3H,1-2H2;3H2,1-2H3;2-3H2,1H3
InChIKeyFHWQPRRHENWVKW-UHFFFAOYSA-N
XLogP35.66
TPSA889.51 Ų
H-Bond Donors16
H-Bond Acceptors70
Rotatable Bonds57
Heavy Atoms288
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004218.98
LogP ≤ 535.66
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1070

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(bromomethyl)oxirane;3-chloro-4-fluoroaniline;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-ol;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-one;N-(3-chloro-4-fluorophenyl)-6-(2-ethoxy-3-morpholin-4-ylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[2-(ethylamino)-3-morpholin-4-ylpropoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(oxiran-2-ylmethoxy)quinazolin-4-amine;(4-chloro-7-methoxyquinazolin-6-yl) acetate;6,7-dimethoxy-3H-quinazolin-4-one;ethanamine;6-hydroxy-7-methoxy-3H-quinazolin-4-one;(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)oxirane;3-chloro-4-fluoroaniline;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-ol;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-one;N-(3-chloro-4-fluorophenyl)-6-(2-ethoxy-3-morpholin-4-ylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[2-(ethylamino)-3-morpholin-4-ylpropoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(oxiran-2-ylmethoxy)quinazolin-4-amine;(4-chloro-7-methoxyquinazolin-6-yl) acetate;6,7-dimethoxy-3H-quinazolin-4-one;ethanamine;6-hydroxy-7-methoxy-3H-quinazolin-4-one;(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate;propane?
The IUPAC name of 2-(bromomethyl)oxirane;3-chloro-4-fluoroaniline;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-ol;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-one;N-(3-chloro-4-fluorophenyl)-6-(2-ethoxy-3-morpholin-4-ylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[2-(ethylamino)-3-morpholin-4-ylpropoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(oxiran-2-ylmethoxy)quinazolin-4-amine;(4-chloro-7-methoxyquinazolin-6-yl) acetate;6,7-dimethoxy-3H-quinazolin-4-one;ethanamine;6-hydroxy-7-methoxy-3H-quinazolin-4-one;(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate;propane (CID 158037087) is 2-(bromomethyl)oxirane;3-chloro-4-fluoroaniline;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-ol;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-one;N-(3-chloro-4-fluorophenyl)-6-(2-ethoxy-3-morpholin-4-ylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[2-(ethylamino)-3-morpholin-4-ylpropoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(oxiran-2-ylmethoxy)quinazolin-4-amine;(4-chloro-7-methoxyquinazolin-6-yl) acetate;6,7-dimethoxy-3H-quinazolin-4-one;ethanamine;6-hydroxy-7-methoxy-3H-quinazolin-4-one;(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate;propane.
What is the SMILES notation for 2-(bromomethyl)oxirane;3-chloro-4-fluoroaniline;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-ol;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-one;N-(3-chloro-4-fluorophenyl)-6-(2-ethoxy-3-morpholin-4-ylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[2-(ethylamino)-3-morpholin-4-ylpropoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(oxiran-2-ylmethoxy)quinazolin-4-amine;(4-chloro-7-methoxyquinazolin-6-yl) acetate;6,7-dimethoxy-3H-quinazolin-4-one;ethanamine;6-hydroxy-7-methoxy-3H-quinazolin-4-one;(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate;propane?
The canonical SMILES for 2-(bromomethyl)oxirane;3-chloro-4-fluoroaniline;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-ol;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-one;N-(3-chloro-4-fluorophenyl)-6-(2-ethoxy-3-morpholin-4-ylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[2-(ethylamino)-3-morpholin-4-ylpropoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(oxiran-2-ylmethoxy)quinazolin-4-amine;(4-chloro-7-methoxyquinazolin-6-yl) acetate;6,7-dimethoxy-3H-quinazolin-4-one;ethanamine;6-hydroxy-7-methoxy-3H-quinazolin-4-one;(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate;propane is BrCC1CO1.CCC.CCN.CCNC(COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)CN1CCOCC1.CCOC(COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC)CN1CCOCC1.COc1cc2nc[nH]c(=O)c2cc1O.COc1cc2nc[nH]c(=O)c2cc1OC.COc1cc2nc[nH]c(=O)c2cc1OC(C)=O.COc1cc2ncnc(Cl)c2cc1OC(C)=O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(C)=O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(=O)CN1CCOCC1.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(O)CN1CCOCC1.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC1CO1.Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(bromomethyl)oxirane;3-chloro-4-fluoroaniline;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-ol;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-one;N-(3-chloro-4-fluorophenyl)-6-(2-ethoxy-3-morpholin-4-ylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[2-(ethylamino)-3-morpholin-4-ylpropoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(oxiran-2-ylmethoxy)quinazolin-4-amine;(4-chloro-7-methoxyquinazolin-6-yl) acetate;6,7-dimethoxy-3H-quinazolin-4-one;ethanamine;6-hydroxy-7-methoxy-3H-quinazolin-4-one;(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate;propane?
The InChIKey is FHWQPRRHENWVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClFN5O3.C24H28ClFN4O4.C22H24ClFN4O4.C22H22ClFN4O4.C18H15ClFN3O3.C17H13ClFN3O3.C15H11ClFN3O2.C11H9ClN2O3.C11H10N2O4.C10H10N2O3.C9H8N2O3.C6H5ClFN.C3H5BrO.C3H8.C2H7N/c1-3-27-17(13-31-6-8-33-9-7-31)14-34-23-11-18-21(12-22(23)32-2)28-15-29-24(18)30-16-4-5-20(26)19(25)10-16;1-3-33-17(13-30-6-8-32-9-7-30)14-34-23-11-18-21(12-22(23)31-2)27-15-28-24(18)29-16-4-5-20(26)19(25)10-16;2*1-30-20-10-19-16(9-21(20)32-12-15(29)11-28-4-6-31-7-5-28)22(26-13-25-19)27-14-2-3-18(24)17(23)8-14;1-24-16-6-15-12(5-17(16)26-8-11-7-25-11)18(22-9-21-15)23-10-2-3-14(20)13(19)4-10;1-9(23)25-16-6-11-14(7-15(16)24-2)20-8-21-17(11)22-10-3-4-13(19)12(18)5-10;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;1-6(15)17-10-3-7-8(4-9(10)16-2)13-5-14-11(7)12;1-6(14)17-10-3-7-8(4-9(10)16-2)12-5-13-11(7)15;1-14-8-3-6-7(4-9(8)15-2)11-5-12-10(6)13;1-14-8-3-6-5(2-7(8)12)9(13)11-4-10-6;7-5-3-4(9)1-2-6(5)8;4-1-3-2-5-3;1-3-2;1-2-3/h4-5,10-12,15,17,27H,3,6-9,13-14H2,1-2H3,(H,28,29,30);4-5,10-12,15,17H,3,6-9,13-14H2,1-2H3,(H,27,28,29);2-3,8-10,13,15,29H,4-7,11-12H2,1H3,(H,25,26,27);2-3,8-10,13H,4-7,11-12H2,1H3,(H,25,26,27);2-6,9,11H,7-8H2,1H3,(H,21,22,23);3-8H,1-2H3,(H,20,21,22);2-7,21H,1H3,(H,18,19,20);3-5H,1-2H3;3-5H,1-2H3,(H,12,13,15);3-5H,1-2H3,(H,11,12,13);2-4,12H,1H3,(H,10,11,13);1-3H,9H2;3H,1-2H2;3H2,1-2H3;2-3H2,1H3.
What are the key properties of 2-(bromomethyl)oxirane;3-chloro-4-fluoroaniline;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-ol;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-one;N-(3-chloro-4-fluorophenyl)-6-(2-ethoxy-3-morpholin-4-ylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[2-(ethylamino)-3-morpholin-4-ylpropoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(oxiran-2-ylmethoxy)quinazolin-4-amine;(4-chloro-7-methoxyquinazolin-6-yl) acetate;6,7-dimethoxy-3H-quinazolin-4-one;ethanamine;6-hydroxy-7-methoxy-3H-quinazolin-4-one;(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate;propane?
2-(bromomethyl)oxirane;3-chloro-4-fluoroaniline;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-ol;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-one;N-(3-chloro-4-fluorophenyl)-6-(2-ethoxy-3-morpholin-4-ylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[2-(ethylamino)-3-morpholin-4-ylpropoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(oxiran-2-ylmethoxy)quinazolin-4-amine;(4-chloro-7-methoxyquinazolin-6-yl) acetate;6,7-dimethoxy-3H-quinazolin-4-one;ethanamine;6-hydroxy-7-methoxy-3H-quinazolin-4-one;(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate;propane has a molecular weight of 4218.98 g/mol, XLogP of 35.66, 57 rotatable bonds, 16 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)oxirane;3-chloro-4-fluoroaniline;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol;[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-ol;1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-one;N-(3-chloro-4-fluorophenyl)-6-(2-ethoxy-3-morpholin-4-ylpropoxy)-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[2-(ethylamino)-3-morpholin-4-ylpropoxy]-7-methoxyquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(oxiran-2-ylmethoxy)quinazolin-4-amine;(4-chloro-7-methoxyquinazolin-6-yl) acetate;6,7-dimethoxy-3H-quinazolin-4-one;ethanamine;6-hydroxy-7-methoxy-3H-quinazolin-4-one;(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate;propane is sourced from PubChem (CID 158037087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).