2-(aminomethyl)-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2-chloro-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2,4-dichloro-5,6-difluoroquinazoline;N-ethyl-6,7-difluoro-N-(3-fluoro-5-iodophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-6,7-difluoro-N-[3-fluoro-5-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-3-fluoro-5-iodoaniline;1-ethynyl-1-methylcyclopropane

C95H72Cl3F15I4N20 — CID 167645659

About 2-(aminomethyl)-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2-chloro-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2,4-dichloro-5,6-difluoroquinazoline;N-ethyl-6,7-difluoro-N-(3-fluoro-5-iodophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-6,7-difluoro-N-[3-fluoro-5-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-3-fluoro-5-iodoaniline;1-ethynyl-1-methylcyclopropane

2-(aminomethyl)-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2-chloro-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2,4-dichloro-5,6-difluoroquinazoline;N-ethyl-6,7-difluoro-N-(3-fluoro-5-iodophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-6,7-difluoro-N-[3-fluoro-5-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-3-fluoro-5-iodoaniline;1-ethynyl-1-methylcyclopropane (PubChem CID 167645659) has the molecular formula C95H72Cl3F15I4N20 and a molecular weight of 2392.71 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2-chloro-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2,4-dichloro-5,6-difluoroquinazoline;N-ethyl-6,7-difluoro-N-(3-fluoro-5-iodophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-6,7-difluoro-N-[3-fluoro-5-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-3-fluoro-5-iodoaniline;1-ethynyl-1-methylcyclopropane.

Molecular Properties

• Compound Name: 2-(aminomethyl)-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2-chloro-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2,4-dichloro-5,6-difluoroquinazoline;N-ethyl-6,7-difluoro-N-(3-fluoro-5-iodophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-6,7-difluoro-N-[3-fluoro-5-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-3-fluoro-5-iodoaniline;1-ethynyl-1-methylcyclopropane
• PubChem CID: 167645659
• Molecular Formula: C95H72Cl3F15I4N20
• Molecular Weight: 2392.71 g/mol
• Exact Mass: 2390.13
• IUPAC Name: 2-(aminomethyl)-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2-chloro-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2,4-dichloro-5,6-difluoroquinazoline;N-ethyl-6,7-difluoro-N-(3-fluoro-5-iodophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-6,7-difluoro-N-[3-fluoro-5-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-3-fluoro-5-iodoaniline;1-ethynyl-1-methylcyclopropane
• SMILES: C#CC1(C)CC1.CCN(c1cc(F)cc(C#CC2(C)CC2)c1)c1nc2nncn2c2ccc(F)c(F)c12.CCN(c1cc(F)cc(I)c1)c1nc(CN)nc2ccc(F)c(F)c12.CCN(c1cc(F)cc(I)c1)c1nc(Cl)nc2ccc(F)c(F)c12.CCN(c1cc(F)cc(I)c1)c1nc2nncn2c2ccc(F)c(F)c12.CCNc1cc(F)cc(I)c1.Fc1ccc2nc(Cl)nc(Cl)c2c1F
• InChI: InChI=1S/C23H18F3N5.C17H11F3IN5.C17H14F3IN4.C16H10ClF3IN3.C8H2Cl2F2N2.C8H9FIN.C6H8/c1-3-30(16-11-14(10-15(24)12-16)6-7-23(2)8-9-23)21-19-18(5-4-17(25)20(19)26)31-13-27-29-22(31)28-21;1-2-25(11-6-9(18)5-10(21)7-11)16-14-13(4-3-12(19)15(14)20)26-8-22-24-17(26)23-16;1-2-25(11-6-9(18)5-10(21)7-11)17-15-13(23-14(8-22)24-17)4-3-12(19)16(15)20;1-2-24(10-6-8(18)5-9(21)7-10)15-13-12(22-16(17)23-15)4-3-11(19)14(13)20;9-7-5-4(13-8(10)14-7)2-1-3(11)6(5)12;1-2-11-8-4-6(9)3-7(10)5-8;1-3-6(2)4-5-6/h4-5,10-13H,3,8-9H2,1-2H3;3-8H,2H2,1H3;3-7H,2,8,22H2,1H3;3-7H,2H2,1H3;1-2H;3-5,11H,2H2,1H3;1H,4-5H2,2H3
• InChIKey: PVJBESPXOIEXCV-UHFFFAOYSA-N
• XLogP: 26.69
• TPSA: 214.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2392.71
LogP ≤ 5	26.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2-chloro-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2,4-dichloro-5,6-difluoroquinazoline;N-ethyl-6,7-difluoro-N-(3-fluoro-5-iodophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-6,7-difluoro-N-[3-fluoro-5-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-3-fluoro-5-iodoaniline;1-ethynyl-1-methylcyclopropane?

The IUPAC name of 2-(aminomethyl)-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2-chloro-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2,4-dichloro-5,6-difluoroquinazoline;N-ethyl-6,7-difluoro-N-(3-fluoro-5-iodophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-6,7-difluoro-N-[3-fluoro-5-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-3-fluoro-5-iodoaniline;1-ethynyl-1-methylcyclopropane (CID 167645659) is 2-(aminomethyl)-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2-chloro-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2,4-dichloro-5,6-difluoroquinazoline;N-ethyl-6,7-difluoro-N-(3-fluoro-5-iodophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-6,7-difluoro-N-[3-fluoro-5-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-3-fluoro-5-iodoaniline;1-ethynyl-1-methylcyclopropane.

What is the SMILES notation for 2-(aminomethyl)-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2-chloro-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2,4-dichloro-5,6-difluoroquinazoline;N-ethyl-6,7-difluoro-N-(3-fluoro-5-iodophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-6,7-difluoro-N-[3-fluoro-5-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-3-fluoro-5-iodoaniline;1-ethynyl-1-methylcyclopropane?

The canonical SMILES for 2-(aminomethyl)-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2-chloro-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2,4-dichloro-5,6-difluoroquinazoline;N-ethyl-6,7-difluoro-N-(3-fluoro-5-iodophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-6,7-difluoro-N-[3-fluoro-5-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-3-fluoro-5-iodoaniline;1-ethynyl-1-methylcyclopropane is C#CC1(C)CC1.CCN(c1cc(F)cc(C#CC2(C)CC2)c1)c1nc2nncn2c2ccc(F)c(F)c12.CCN(c1cc(F)cc(I)c1)c1nc(CN)nc2ccc(F)c(F)c12.CCN(c1cc(F)cc(I)c1)c1nc(Cl)nc2ccc(F)c(F)c12.CCN(c1cc(F)cc(I)c1)c1nc2nncn2c2ccc(F)c(F)c12.CCNc1cc(F)cc(I)c1.Fc1ccc2nc(Cl)nc(Cl)c2c1F.

What is the InChIKey of 2-(aminomethyl)-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2-chloro-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2,4-dichloro-5,6-difluoroquinazoline;N-ethyl-6,7-difluoro-N-(3-fluoro-5-iodophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-6,7-difluoro-N-[3-fluoro-5-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-3-fluoro-5-iodoaniline;1-ethynyl-1-methylcyclopropane?

The InChIKey is PVJBESPXOIEXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5.C17H11F3IN5.C17H14F3IN4.C16H10ClF3IN3.C8H2Cl2F2N2.C8H9FIN.C6H8/c1-3-30(16-11-14(10-15(24)12-16)6-7-23(2)8-9-23)21-19-18(5-4-17(25)20(19)26)31-13-27-29-22(31)28-21;1-2-25(11-6-9(18)5-10(21)7-11)16-14-13(4-3-12(19)15(14)20)26-8-22-24-17(26)23-16;1-2-25(11-6-9(18)5-10(21)7-11)17-15-13(23-14(8-22)24-17)4-3-12(19)16(15)20;1-2-24(10-6-8(18)5-9(21)7-10)15-13-12(22-16(17)23-15)4-3-11(19)14(13)20;9-7-5-4(13-8(10)14-7)2-1-3(11)6(5)12;1-2-11-8-4-6(9)3-7(10)5-8;1-3-6(2)4-5-6/h4-5,10-13H,3,8-9H2,1-2H3;3-8H,2H2,1H3;3-7H,2,8,22H2,1H3;3-7H,2H2,1H3;1-2H;3-5,11H,2H2,1H3;1H,4-5H2,2H3.

What are the key properties of 2-(aminomethyl)-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2-chloro-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2,4-dichloro-5,6-difluoroquinazoline;N-ethyl-6,7-difluoro-N-(3-fluoro-5-iodophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-6,7-difluoro-N-[3-fluoro-5-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-3-fluoro-5-iodoaniline;1-ethynyl-1-methylcyclopropane?

2-(aminomethyl)-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2-chloro-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2,4-dichloro-5,6-difluoroquinazoline;N-ethyl-6,7-difluoro-N-(3-fluoro-5-iodophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-6,7-difluoro-N-[3-fluoro-5-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-3-fluoro-5-iodoaniline;1-ethynyl-1-methylcyclopropane has a molecular weight of 2392.71 g/mol, XLogP of 26.69, 15 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(aminomethyl)-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2-chloro-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2,4-dichloro-5,6-difluoroquinazoline;N-ethyl-6,7-difluoro-N-(3-fluoro-5-iodophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-6,7-difluoro-N-[3-fluoro-5-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-3-fluoro-5-iodoaniline;1-ethynyl-1-methylcyclopropane is sourced from PubChem (CID 167645659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).