N-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;methane;4-methylbenzenesulfonic acid;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide

C107H106Cl3F11N14O21S5 — CID 162166192

About N-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;methane;4-methylbenzenesulfonic acid;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide

N-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;methane;4-methylbenzenesulfonic acid;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide (PubChem CID 162166192) has the molecular formula C107H106Cl3F11N14O21S5 and a molecular weight of 2399.77 g/mol. Its IUPAC name is N-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;methane;4-methylbenzenesulfonic acid;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;methane;4-methylbenzenesulfonic acid;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide
• PubChem CID: 162166192
• Molecular Formula: C107H106Cl3F11N14O21S5
• Molecular Weight: 2399.77 g/mol
• Exact Mass: 2396.52
• IUPAC Name: N-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;methane;4-methylbenzenesulfonic acid;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide
• SMILES: C.C.C.C.CS(=O)(=O)CCN(Cc1ccc(-c2ccc3nc[nH]c(=O)c3c2)o1)C(=O)C(F)(F)F.CS(=O)(=O)CCN(Cc1ccc(-c2ccc3ncnc(Cl)c3c2)o1)C(=O)C(F)(F)F.CS(=O)(=O)CCN(Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1)C(=O)C(F)(F)F.CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1.Cc1ccc(S(=O)(=O)O)cc1
• InChI: InChI=1S/C31H25ClF4N4O5S.C29H26ClFN4O4S.C18H15ClF3N3O4S.C18H16F3N3O5S.C7H8O3S.4CH4/c1-46(42,43)12-11-40(30(41)31(34,35)36)16-23-7-10-27(45-23)20-5-8-26-24(14-20)29(38-18-37-26)39-22-6-9-28(25(32)15-22)44-17-19-3-2-4-21(33)13-19;1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19;1-30(27,28)7-6-25(17(26)18(20,21)22)9-12-3-5-15(29-12)11-2-4-14-13(8-11)16(19)24-10-23-14;1-30(27,28)7-6-24(17(26)18(19,20)21)9-12-3-5-15(29-12)11-2-4-14-13(8-11)16(25)23-10-22-14;1-6-2-4-7(5-3-6)11(8,9)10;;;;/h2-10,13-15,18H,11-12,16-17H2,1H3,(H,37,38,39);2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);2-5,8,10H,6-7,9H2,1H3;2-5,8,10H,6-7,9H2,1H3,(H,22,23,25);2-5H,1H3,(H,8,9,10);4*1H4
• InChIKey: HEKPPVAYHSKRGB-UHFFFAOYSA-N
• XLogP: 22.46
• TPSA: 482.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 35
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2399.77
LogP ≤ 5	22.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;methane;4-methylbenzenesulfonic acid;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide?

The IUPAC name of N-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;methane;4-methylbenzenesulfonic acid;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide (CID 162166192) is N-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;methane;4-methylbenzenesulfonic acid;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide.

What is the SMILES notation for N-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;methane;4-methylbenzenesulfonic acid;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide?

The canonical SMILES for N-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;methane;4-methylbenzenesulfonic acid;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide is C.C.C.C.CS(=O)(=O)CCN(Cc1ccc(-c2ccc3nc[nH]c(=O)c3c2)o1)C(=O)C(F)(F)F.CS(=O)(=O)CCN(Cc1ccc(-c2ccc3ncnc(Cl)c3c2)o1)C(=O)C(F)(F)F.CS(=O)(=O)CCN(Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1)C(=O)C(F)(F)F.CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1.Cc1ccc(S(=O)(=O)O)cc1.

What is the InChIKey of N-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;methane;4-methylbenzenesulfonic acid;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide?

The InChIKey is HEKPPVAYHSKRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25ClF4N4O5S.C29H26ClFN4O4S.C18H15ClF3N3O4S.C18H16F3N3O5S.C7H8O3S.4CH4/c1-46(42,43)12-11-40(30(41)31(34,35)36)16-23-7-10-27(45-23)20-5-8-26-24(14-20)29(38-18-37-26)39-22-6-9-28(25(32)15-22)44-17-19-3-2-4-21(33)13-19;1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19;1-30(27,28)7-6-25(17(26)18(20,21)22)9-12-3-5-15(29-12)11-2-4-14-13(8-11)16(19)24-10-23-14;1-30(27,28)7-6-24(17(26)18(19,20)21)9-12-3-5-15(29-12)11-2-4-14-13(8-11)16(25)23-10-22-14;1-6-2-4-7(5-3-6)11(8,9)10;;;;/h2-10,13-15,18H,11-12,16-17H2,1H3,(H,37,38,39);2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);2-5,8,10H,6-7,9H2,1H3;2-5,8,10H,6-7,9H2,1H3,(H,22,23,25);2-5H,1H3,(H,8,9,10);4*1H4.

What are the key properties of N-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;methane;4-methylbenzenesulfonic acid;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide?

N-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;methane;4-methylbenzenesulfonic acid;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide has a molecular weight of 2399.77 g/mol, XLogP of 22.46, 35 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-[[5-(4-chloroquinazolin-6-yl)furan-2-yl]methyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide;methane;4-methylbenzenesulfonic acid;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide is sourced from PubChem (CID 162166192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).