dipotassium;2-chloro-N,N-diethylethanamine;1-[1-[2-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-(7-hydroxy-6-methoxyquinazolin-4-yl)oxyphenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;hydride;oxido formate;hydrochloride

C73H82Cl2F4K2N6O13 — CID 159308194

About dipotassium;2-chloro-N,N-diethylethanamine;1-[1-[2-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-(7-hydroxy-6-methoxyquinazolin-4-yl)oxyphenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;hydride;oxido formate;hydrochloride

dipotassium;2-chloro-N,N-diethylethanamine;1-[1-[2-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-(7-hydroxy-6-methoxyquinazolin-4-yl)oxyphenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;hydride;oxido formate;hydrochloride (PubChem CID 159308194) has the molecular formula C73H82Cl2F4K2N6O13 and a molecular weight of 1476.58 g/mol. Its IUPAC name is dipotassium;2-chloro-N,N-diethylethanamine;1-[1-[2-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-(7-hydroxy-6-methoxyquinazolin-4-yl)oxyphenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;hydride;oxido formate;hydrochloride.

Molecular Properties

• Compound Name: dipotassium;2-chloro-N,N-diethylethanamine;1-[1-[2-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-(7-hydroxy-6-methoxyquinazolin-4-yl)oxyphenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;hydride;oxido formate;hydrochloride
• PubChem CID: 159308194
• Molecular Formula: C73H82Cl2F4K2N6O13
• Molecular Weight: 1476.58 g/mol
• Exact Mass: 1474.45
• IUPAC Name: dipotassium;2-chloro-N,N-diethylethanamine;1-[1-[2-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-(7-hydroxy-6-methoxyquinazolin-4-yl)oxyphenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;hydride;oxido formate;hydrochloride
• SMILES: CCN(CC)CCCl.CCN(CC)CCOc1cc2ncnc(Oc3ccc(CC(=O)C4(C(=O)Cc5ccc(F)cc5)CC4(C)C)cc3F)c2cc1OC.COc1cc2c(Oc3ccc(CC(=O)C4(C(=O)Cc5ccc(F)cc5)CC4(C)C)cc3F)ncnc2cc1O.Cl.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C36H39F2N3O5.C30H26F2N2O5.C6H14ClN.CH2O3.ClH.2K.H/c1-6-41(7-2)14-15-45-31-20-28-26(19-30(31)44-5)34(40-22-39-28)46-29-13-10-24(16-27(29)38)18-33(43)36(21-35(36,3)4)32(42)17-23-8-11-25(37)12-9-23;1-29(2)15-30(29,26(36)11-17-4-7-19(31)8-5-17)27(37)12-18-6-9-24(21(32)10-18)39-28-20-13-25(38-3)23(35)14-22(20)33-16-34-28;1-3-8(4-2)6-5-7;2-1-4-3;;;;/h8-13,16,19-20,22H,6-7,14-15,17-18,21H2,1-5H3;4-10,13-14,16,35H,11-12,15H2,1-3H3;3-6H2,1-2H3;1,3H;1H;;;/q;;;;;2*+1;-1/p-1
• InChIKey: QOIMVYABRZAUEJ-UHFFFAOYSA-M
• XLogP: 7.07
• TPSA: 242.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 29
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1476.58
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-chloro-N,N-diethylethanamine;1-[1-[2-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-(7-hydroxy-6-methoxyquinazolin-4-yl)oxyphenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;hydride;oxido formate;hydrochloride?

The IUPAC name of dipotassium;2-chloro-N,N-diethylethanamine;1-[1-[2-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-(7-hydroxy-6-methoxyquinazolin-4-yl)oxyphenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;hydride;oxido formate;hydrochloride (CID 159308194) is dipotassium;2-chloro-N,N-diethylethanamine;1-[1-[2-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-(7-hydroxy-6-methoxyquinazolin-4-yl)oxyphenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;hydride;oxido formate;hydrochloride.

What is the SMILES notation for dipotassium;2-chloro-N,N-diethylethanamine;1-[1-[2-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-(7-hydroxy-6-methoxyquinazolin-4-yl)oxyphenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;hydride;oxido formate;hydrochloride?

The canonical SMILES for dipotassium;2-chloro-N,N-diethylethanamine;1-[1-[2-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-(7-hydroxy-6-methoxyquinazolin-4-yl)oxyphenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;hydride;oxido formate;hydrochloride is CCN(CC)CCCl.CCN(CC)CCOc1cc2ncnc(Oc3ccc(CC(=O)C4(C(=O)Cc5ccc(F)cc5)CC4(C)C)cc3F)c2cc1OC.COc1cc2c(Oc3ccc(CC(=O)C4(C(=O)Cc5ccc(F)cc5)CC4(C)C)cc3F)ncnc2cc1O.Cl.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;2-chloro-N,N-diethylethanamine;1-[1-[2-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-(7-hydroxy-6-methoxyquinazolin-4-yl)oxyphenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;hydride;oxido formate;hydrochloride?

The InChIKey is QOIMVYABRZAUEJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C36H39F2N3O5.C30H26F2N2O5.C6H14ClN.CH2O3.ClH.2K.H/c1-6-41(7-2)14-15-45-31-20-28-26(19-30(31)44-5)34(40-22-39-28)46-29-13-10-24(16-27(29)38)18-33(43)36(21-35(36,3)4)32(42)17-23-8-11-25(37)12-9-23;1-29(2)15-30(29,26(36)11-17-4-7-19(31)8-5-17)27(37)12-18-6-9-24(21(32)10-18)39-28-20-13-25(38-3)23(35)14-22(20)33-16-34-28;1-3-8(4-2)6-5-7;2-1-4-3;;;;/h8-13,16,19-20,22H,6-7,14-15,17-18,21H2,1-5H3;4-10,13-14,16,35H,11-12,15H2,1-3H3;3-6H2,1-2H3;1,3H;1H;;;/q;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;2-chloro-N,N-diethylethanamine;1-[1-[2-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-(7-hydroxy-6-methoxyquinazolin-4-yl)oxyphenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;hydride;oxido formate;hydrochloride?

dipotassium;2-chloro-N,N-diethylethanamine;1-[1-[2-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-(7-hydroxy-6-methoxyquinazolin-4-yl)oxyphenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;hydride;oxido formate;hydrochloride has a molecular weight of 1476.58 g/mol, XLogP of 7.07, 29 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-chloro-N,N-diethylethanamine;1-[1-[2-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-(7-hydroxy-6-methoxyquinazolin-4-yl)oxyphenyl]acetyl]-2,2-dimethylcyclopropyl]-2-(4-fluorophenyl)ethanone;hydride;oxido formate;hydrochloride is sourced from PubChem (CID 159308194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).