2-(aminomethyl)-N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-(3-methoxy-3-methylbut-1-ynyl)phenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;3-methoxy-3-methylbut-1-yne

C97H75Br4Cl3F20N20O2 — CID 167592123

About 2-(aminomethyl)-N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-(3-methoxy-3-methylbut-1-ynyl)phenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;3-methoxy-3-methylbut-1-yne

2-(aminomethyl)-N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-(3-methoxy-3-methylbut-1-ynyl)phenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;3-methoxy-3-methylbut-1-yne (PubChem CID 167592123) has the molecular formula C97H75Br4Cl3F20N20O2 and a molecular weight of 2358.74 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-(3-methoxy-3-methylbut-1-ynyl)phenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;3-methoxy-3-methylbut-1-yne.

Molecular Properties

• Compound Name: 2-(aminomethyl)-N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-(3-methoxy-3-methylbut-1-ynyl)phenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;3-methoxy-3-methylbut-1-yne
• PubChem CID: 167592123
• Molecular Formula: C97H75Br4Cl3F20N20O2
• Molecular Weight: 2358.74 g/mol
• Exact Mass: 2352.19
• IUPAC Name: 2-(aminomethyl)-N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-(3-methoxy-3-methylbut-1-ynyl)phenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;3-methoxy-3-methylbut-1-yne
• SMILES: C#CC(C)(C)OC.COC(C)(C)C#Cc1cc(F)cc(N(CC(F)F)c2nc3nnc(C)n3c3cccc(F)c23)c1.Cc1nnc2nc(N(CC(F)F)c3cc(F)cc(Br)c3)c3c(F)cccc3n12.Fc1cc(Br)cc(N(CC(F)F)c2nc(Cl)nc3cccc(F)c23)c1.Fc1cc(Br)cc(NCC(F)F)c1.Fc1cccc2nc(Cl)nc(Cl)c12.NCc1nc(N(CC(F)F)c2cc(F)cc(Br)c2)c2c(F)cccc2n1
• InChI: InChI=1S/C24H21F4N5O.C18H12BrF4N5.C17H13BrF4N4.C16H9BrClF4N3.C8H7BrF3N.C8H3Cl2FN2.C6H10O/c1-14-30-31-23-29-22(21-18(26)6-5-7-19(21)33(14)23)32(13-20(27)28)17-11-15(10-16(25)12-17)8-9-24(2,3)34-4;1-9-25-26-18-24-17(16-13(21)3-2-4-14(16)28(9)18)27(8-15(22)23)12-6-10(19)5-11(20)7-12;18-9-4-10(19)6-11(5-9)26(8-14(21)22)17-16-12(20)2-1-3-13(16)24-15(7-23)25-17;17-8-4-9(19)6-10(5-8)25(7-13(21)22)15-14-11(20)2-1-3-12(14)23-16(18)24-15;9-5-1-6(10)3-7(2-5)13-4-8(11)12;9-7-6-4(11)2-1-3-5(6)12-8(10)13-7;1-5-6(2,3)7-4/h5-7,10-12,20H,13H2,1-4H3;2-7,15H,8H2,1H3;1-6,14H,7-8,23H2;1-6,13H,7H2;1-3,8,13H,4H2;1-3H;1H,2-4H3
• InChIKey: IOLAOACJLCDYNP-UHFFFAOYSA-N
• XLogP: 27.72
• TPSA: 232.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2358.74
LogP ≤ 5	27.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

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-5-fluorophenyl)-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-(3-methoxy-3-methylbut-1-ynyl)phenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;3-methoxy-3-methylbut-1-yne?

The IUPAC name of 2-(aminomethyl)-N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-(3-methoxy-3-methylbut-1-ynyl)phenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;3-methoxy-3-methylbut-1-yne (CID 167592123) is 2-(aminomethyl)-N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-(3-methoxy-3-methylbut-1-ynyl)phenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;3-methoxy-3-methylbut-1-yne.

What is the SMILES notation for 2-(aminomethyl)-N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-(3-methoxy-3-methylbut-1-ynyl)phenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;3-methoxy-3-methylbut-1-yne?

The canonical SMILES for 2-(aminomethyl)-N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-(3-methoxy-3-methylbut-1-ynyl)phenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;3-methoxy-3-methylbut-1-yne is C#CC(C)(C)OC.COC(C)(C)C#Cc1cc(F)cc(N(CC(F)F)c2nc3nnc(C)n3c3cccc(F)c23)c1.Cc1nnc2nc(N(CC(F)F)c3cc(F)cc(Br)c3)c3c(F)cccc3n12.Fc1cc(Br)cc(N(CC(F)F)c2nc(Cl)nc3cccc(F)c23)c1.Fc1cc(Br)cc(NCC(F)F)c1.Fc1cccc2nc(Cl)nc(Cl)c12.NCc1nc(N(CC(F)F)c2cc(F)cc(Br)c2)c2c(F)cccc2n1.

What is the InChIKey of 2-(aminomethyl)-N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-(3-methoxy-3-methylbut-1-ynyl)phenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;3-methoxy-3-methylbut-1-yne?

The InChIKey is IOLAOACJLCDYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N5O.C18H12BrF4N5.C17H13BrF4N4.C16H9BrClF4N3.C8H7BrF3N.C8H3Cl2FN2.C6H10O/c1-14-30-31-23-29-22(21-18(26)6-5-7-19(21)33(14)23)32(13-20(27)28)17-11-15(10-16(25)12-17)8-9-24(2,3)34-4;1-9-25-26-18-24-17(16-13(21)3-2-4-14(16)28(9)18)27(8-15(22)23)12-6-10(19)5-11(20)7-12;18-9-4-10(19)6-11(5-9)26(8-14(21)22)17-16-12(20)2-1-3-13(16)24-15(7-23)25-17;17-8-4-9(19)6-10(5-8)25(7-13(21)22)15-14-11(20)2-1-3-12(14)23-16(18)24-15;9-5-1-6(10)3-7(2-5)13-4-8(11)12;9-7-6-4(11)2-1-3-5(6)12-8(10)13-7;1-5-6(2,3)7-4/h5-7,10-12,20H,13H2,1-4H3;2-7,15H,8H2,1H3;1-6,14H,7-8,23H2;1-6,13H,7H2;1-3,8,13H,4H2;1-3H;1H,2-4H3.

What are the key properties of 2-(aminomethyl)-N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-(3-methoxy-3-methylbut-1-ynyl)phenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;3-methoxy-3-methylbut-1-yne?

2-(aminomethyl)-N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-(3-methoxy-3-methylbut-1-ynyl)phenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;3-methoxy-3-methylbut-1-yne has a molecular weight of 2358.74 g/mol, XLogP of 27.72, 22 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(aminomethyl)-N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-(3-methoxy-3-methylbut-1-ynyl)phenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;3-methoxy-3-methylbut-1-yne is sourced from PubChem (CID 167592123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).