6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluoro-3-methylphenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluorophenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(2-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;N-[4-(1,1-difluoroethyl)phenyl]-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate

C126H115ClF31N19O24 — CID 159541580

About 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluoro-3-methylphenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluorophenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(2-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;N-[4-(1,1-difluoroethyl)phenyl]-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate

6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluoro-3-methylphenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluorophenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(2-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;N-[4-(1,1-difluoroethyl)phenyl]-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate (PubChem CID 159541580) has the molecular formula C126H115ClF31N19O24 and a molecular weight of 2903.81 g/mol. Its IUPAC name is 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluoro-3-methylphenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluorophenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(2-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;N-[4-(1,1-difluoroethyl)phenyl]-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluoro-3-methylphenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluorophenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(2-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;N-[4-(1,1-difluoroethyl)phenyl]-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate
• PubChem CID: 159541580
• Molecular Formula: C126H115ClF31N19O24
• Molecular Weight: 2903.81 g/mol
• Exact Mass: 2901.76
• IUPAC Name: 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluoro-3-methylphenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluorophenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(2-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;N-[4-(1,1-difluoroethyl)phenyl]-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate
• SMILES: CC(F)(F)c1ccc(Nc2ncnc3cc(OCCOC(F)F)c(OCCOC(F)F)cc23)cc1.COc1cc2ncnc(Nc3ccc(F)c(C)c3F)c2cc1OC(=O)N1CC[C@@H](OC(F)F)C1.Cc1cccc(Nc2ncnc3cc(OCCOC(F)F)c(OCCOC(F)F)cc23)c1F.FC(F)OCCOc1cc2ncnc(Nc3ccccc3C(F)(F)F)c2cc1OCCOC(F)F.FC(F)OCCOc1cc2ncnc(Nc3ccccc3Cl)c2cc1OCCOC(F)F.Fc1ccccc1Nc1ncnc2cc(OCCOC(F)F)c(OCCOC(F)F)cc12
• InChI: InChI=1S/C22H21F6N3O4.C22H20F4N4O4.C21H18F7N3O4.C21H20F5N3O4.C20H18ClF4N3O4.C20H18F5N3O4/c1-22(27,28)13-2-4-14(5-3-13)31-19-15-10-17(32-6-8-34-20(23)24)18(11-16(15)29-12-30-19)33-7-9-35-21(25)26;1-11-14(23)3-4-15(19(11)24)29-20-13-7-18(17(32-2)8-16(13)27-10-28-20)34-22(31)30-6-5-12(9-30)33-21(25)26;22-19(23)34-7-5-32-16-9-12-15(10-17(16)33-6-8-35-20(24)25)29-11-30-18(12)31-14-4-2-1-3-13(14)21(26,27)28;1-12-3-2-4-14(18(12)22)29-19-13-9-16(30-5-7-32-20(23)24)17(10-15(13)27-11-28-19)31-6-8-33-21(25)26;2*21-13-3-1-2-4-14(13)28-18-12-9-16(29-5-7-31-19(22)23)17(10-15(12)26-11-27-18)30-6-8-32-20(24)25/h2-5,10-12,20-21H,6-9H2,1H3,(H,29,30,31);3-4,7-8,10,12,21H,5-6,9H2,1-2H3,(H,27,28,29);1-4,9-11,19-20H,5-8H2,(H,29,30,31);2-4,9-11,20-21H,5-8H2,1H3,(H,27,28,29);2*1-4,9-11,19-20H,5-8H2,(H,26,27,28)/t;12-;;;;/m.1..../s1
• InChIKey: MEGXNFNHGOWARS-CKFMKZRUSA-N
• XLogP: 31.20
• TPSA: 459.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 67
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2903.81
LogP ≤ 5	31.20
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluoro-3-methylphenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluorophenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(2-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;N-[4-(1,1-difluoroethyl)phenyl]-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate?

The IUPAC name of 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluoro-3-methylphenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluorophenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(2-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;N-[4-(1,1-difluoroethyl)phenyl]-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate (CID 159541580) is 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluoro-3-methylphenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluorophenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(2-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;N-[4-(1,1-difluoroethyl)phenyl]-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate.

What is the SMILES notation for 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluoro-3-methylphenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluorophenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(2-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;N-[4-(1,1-difluoroethyl)phenyl]-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate?

The canonical SMILES for 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluoro-3-methylphenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluorophenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(2-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;N-[4-(1,1-difluoroethyl)phenyl]-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate is CC(F)(F)c1ccc(Nc2ncnc3cc(OCCOC(F)F)c(OCCOC(F)F)cc23)cc1.COc1cc2ncnc(Nc3ccc(F)c(C)c3F)c2cc1OC(=O)N1CC[C@@H](OC(F)F)C1.Cc1cccc(Nc2ncnc3cc(OCCOC(F)F)c(OCCOC(F)F)cc23)c1F.FC(F)OCCOc1cc2ncnc(Nc3ccccc3C(F)(F)F)c2cc1OCCOC(F)F.FC(F)OCCOc1cc2ncnc(Nc3ccccc3Cl)c2cc1OCCOC(F)F.Fc1ccccc1Nc1ncnc2cc(OCCOC(F)F)c(OCCOC(F)F)cc12.

What is the InChIKey of 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluoro-3-methylphenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluorophenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(2-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;N-[4-(1,1-difluoroethyl)phenyl]-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate?

The InChIKey is MEGXNFNHGOWARS-CKFMKZRUSA-N. The full InChI is InChI=1S/C22H21F6N3O4.C22H20F4N4O4.C21H18F7N3O4.C21H20F5N3O4.C20H18ClF4N3O4.C20H18F5N3O4/c1-22(27,28)13-2-4-14(5-3-13)31-19-15-10-17(32-6-8-34-20(23)24)18(11-16(15)29-12-30-19)33-7-9-35-21(25)26;1-11-14(23)3-4-15(19(11)24)29-20-13-7-18(17(32-2)8-16(13)27-10-28-20)34-22(31)30-6-5-12(9-30)33-21(25)26;22-19(23)34-7-5-32-16-9-12-15(10-17(16)33-6-8-35-20(24)25)29-11-30-18(12)31-14-4-2-1-3-13(14)21(26,27)28;1-12-3-2-4-14(18(12)22)29-19-13-9-16(30-5-7-32-20(23)24)17(10-15(13)27-11-28-19)31-6-8-33-21(25)26;2*21-13-3-1-2-4-14(13)28-18-12-9-16(29-5-7-31-19(22)23)17(10-15(12)26-11-27-18)30-6-8-32-20(24)25/h2-5,10-12,20-21H,6-9H2,1H3,(H,29,30,31);3-4,7-8,10,12,21H,5-6,9H2,1-2H3,(H,27,28,29);1-4,9-11,19-20H,5-8H2,(H,29,30,31);2-4,9-11,20-21H,5-8H2,1H3,(H,27,28,29);2*1-4,9-11,19-20H,5-8H2,(H,26,27,28)/t;12-;;;;/m.1..../s1.

What are the key properties of 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluoro-3-methylphenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluorophenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(2-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;N-[4-(1,1-difluoroethyl)phenyl]-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate?

6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluoro-3-methylphenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluorophenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(2-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;N-[4-(1,1-difluoroethyl)phenyl]-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate has a molecular weight of 2903.81 g/mol, XLogP of 31.20, 67 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluoro-3-methylphenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2-fluorophenyl)quinazolin-4-amine;6,7-bis[2-(difluoromethoxy)ethoxy]-N-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(2-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;N-[4-(1,1-difluoroethyl)phenyl]-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine;[4-(2,4-difluoro-3-methylanilino)-7-methoxyquinazolin-6-yl] (3R)-3-(difluoromethoxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 159541580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).