2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-N-[3-[2-[1-(difluoromethyl)cyclopropyl]ethynyl]-2-fluorophenyl]-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-(difluoromethyl)-1-ethynylcyclopropane

C97H67Br4Cl3F24N20 — CID 167707097

About 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-N-[3-[2-[1-(difluoromethyl)cyclopropyl]ethynyl]-2-fluorophenyl]-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-(difluoromethyl)-1-ethynylcyclopropane

2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-N-[3-[2-[1-(difluoromethyl)cyclopropyl]ethynyl]-2-fluorophenyl]-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-(difluoromethyl)-1-ethynylcyclopropane (PubChem CID 167707097) has the molecular formula C97H67Br4Cl3F24N20 and a molecular weight of 2394.67 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-N-[3-[2-[1-(difluoromethyl)cyclopropyl]ethynyl]-2-fluorophenyl]-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-(difluoromethyl)-1-ethynylcyclopropane.

Molecular Properties

• Compound Name: 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-N-[3-[2-[1-(difluoromethyl)cyclopropyl]ethynyl]-2-fluorophenyl]-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-(difluoromethyl)-1-ethynylcyclopropane
• PubChem CID: 167707097
• Molecular Formula: C97H67Br4Cl3F24N20
• Molecular Weight: 2394.67 g/mol
• Exact Mass: 2388.13
• IUPAC Name: 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-N-[3-[2-[1-(difluoromethyl)cyclopropyl]ethynyl]-2-fluorophenyl]-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-(difluoromethyl)-1-ethynylcyclopropane
• SMILES: C#CC1(C(F)F)CC1.Cc1nnc2nc(N(CC(F)F)c3cccc(Br)c3F)c3cc(F)ccc3n12.Cc1nnc2nc(N(CC(F)F)c3cccc(C#CC4(C(F)F)CC4)c3F)c3cc(F)ccc3n12.Fc1c(Br)cccc1NCC(F)F.Fc1ccc2nc(Cl)nc(Cl)c2c1.Fc1ccc2nc(Cl)nc(N(CC(F)F)c3cccc(Br)c3F)c2c1.NCc1nc(N(CC(F)F)c2cccc(Br)c2F)c2cc(F)ccc2n1
• InChI: InChI=1S/C24H17F6N5.C18H12BrF4N5.C17H13BrF4N4.C16H9BrClF4N3.C8H7BrF3N.C8H3Cl2FN2.C6H6F2/c1-13-32-33-23-31-21(16-11-15(25)5-6-17(16)35(13)23)34(12-19(26)27)18-4-2-3-14(20(18)28)7-8-24(9-10-24)22(29)30;1-9-25-26-18-24-17(11-7-10(20)5-6-13(11)28(9)18)27(8-15(21)22)14-4-2-3-12(19)16(14)23;18-11-2-1-3-13(16(11)22)26(8-14(20)21)17-10-6-9(19)4-5-12(10)24-15(7-23)25-17;17-10-2-1-3-12(14(10)22)25(7-13(20)21)15-9-6-8(19)4-5-11(9)23-16(18)24-15;9-5-2-1-3-6(8(5)12)13-4-7(10)11;9-7-5-3-4(11)1-2-6(5)12-8(10)13-7;1-2-6(3-4-6)5(7)8/h2-6,11,19,22H,9-10,12H2,1H3;2-7,15H,8H2,1H3;1-6,14H,7-8,23H2;1-6,13H,7H2;1-3,7,13H,4H2;1-3H;1,5H,3-4H2
• InChIKey: ZGGYNQLUEORJLK-UHFFFAOYSA-N
• XLogP: 28.96
• TPSA: 214.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2394.67
LogP ≤ 5	28.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-N-[3-[2-[1-(difluoromethyl)cyclopropyl]ethynyl]-2-fluorophenyl]-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-(difluoromethyl)-1-ethynylcyclopropane?

The IUPAC name of 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-N-[3-[2-[1-(difluoromethyl)cyclopropyl]ethynyl]-2-fluorophenyl]-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-(difluoromethyl)-1-ethynylcyclopropane (CID 167707097) is 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-N-[3-[2-[1-(difluoromethyl)cyclopropyl]ethynyl]-2-fluorophenyl]-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-(difluoromethyl)-1-ethynylcyclopropane.

What is the SMILES notation for 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-N-[3-[2-[1-(difluoromethyl)cyclopropyl]ethynyl]-2-fluorophenyl]-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-(difluoromethyl)-1-ethynylcyclopropane?

The canonical SMILES for 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-N-[3-[2-[1-(difluoromethyl)cyclopropyl]ethynyl]-2-fluorophenyl]-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-(difluoromethyl)-1-ethynylcyclopropane is C#CC1(C(F)F)CC1.Cc1nnc2nc(N(CC(F)F)c3cccc(Br)c3F)c3cc(F)ccc3n12.Cc1nnc2nc(N(CC(F)F)c3cccc(C#CC4(C(F)F)CC4)c3F)c3cc(F)ccc3n12.Fc1c(Br)cccc1NCC(F)F.Fc1ccc2nc(Cl)nc(Cl)c2c1.Fc1ccc2nc(Cl)nc(N(CC(F)F)c3cccc(Br)c3F)c2c1.NCc1nc(N(CC(F)F)c2cccc(Br)c2F)c2cc(F)ccc2n1.

What is the InChIKey of 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-N-[3-[2-[1-(difluoromethyl)cyclopropyl]ethynyl]-2-fluorophenyl]-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-(difluoromethyl)-1-ethynylcyclopropane?

The InChIKey is ZGGYNQLUEORJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F6N5.C18H12BrF4N5.C17H13BrF4N4.C16H9BrClF4N3.C8H7BrF3N.C8H3Cl2FN2.C6H6F2/c1-13-32-33-23-31-21(16-11-15(25)5-6-17(16)35(13)23)34(12-19(26)27)18-4-2-3-14(20(18)28)7-8-24(9-10-24)22(29)30;1-9-25-26-18-24-17(11-7-10(20)5-6-13(11)28(9)18)27(8-15(21)22)14-4-2-3-12(19)16(14)23;18-11-2-1-3-13(16(11)22)26(8-14(20)21)17-10-6-9(19)4-5-12(10)24-15(7-23)25-17;17-10-2-1-3-12(14(10)22)25(7-13(20)21)15-9-6-8(19)4-5-11(9)23-16(18)24-15;9-5-2-1-3-6(8(5)12)13-4-7(10)11;9-7-5-3-4(11)1-2-6(5)12-8(10)13-7;1-2-6(3-4-6)5(7)8/h2-6,11,19,22H,9-10,12H2,1H3;2-7,15H,8H2,1H3;1-6,14H,7-8,23H2;1-6,13H,7H2;1-3,7,13H,4H2;1-3H;1,5H,3-4H2.

What are the key properties of 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-N-[3-[2-[1-(difluoromethyl)cyclopropyl]ethynyl]-2-fluorophenyl]-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-(difluoromethyl)-1-ethynylcyclopropane?

2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-N-[3-[2-[1-(difluoromethyl)cyclopropyl]ethynyl]-2-fluorophenyl]-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-(difluoromethyl)-1-ethynylcyclopropane has a molecular weight of 2394.67 g/mol, XLogP of 28.96, 22 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-N-[3-[2-[1-(difluoromethyl)cyclopropyl]ethynyl]-2-fluorophenyl]-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-(difluoromethyl)-1-ethynylcyclopropane is sourced from PubChem (CID 167707097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).