dipotassium;7-[2-(2-aminoethoxy)ethoxy]-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine;N-[2-[2-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]-2,2,2-trifluoroacetamide;hydride;methanol;oxido formate

C42H45Cl2F5K2N8O11 — CID 158164875

About dipotassium;7-[2-(2-aminoethoxy)ethoxy]-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine;N-[2-[2-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]-2,2,2-trifluoroacetamide;hydride;methanol;oxido formate

dipotassium;7-[2-(2-aminoethoxy)ethoxy]-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine;N-[2-[2-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]-2,2,2-trifluoroacetamide;hydride;methanol;oxido formate (PubChem CID 158164875) has the molecular formula C42H45Cl2F5K2N8O11 and a molecular weight of 1081.96 g/mol. Its IUPAC name is dipotassium;7-[2-(2-aminoethoxy)ethoxy]-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine;N-[2-[2-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]-2,2,2-trifluoroacetamide;hydride;methanol;oxido formate.

Molecular Properties

• Compound Name: dipotassium;7-[2-(2-aminoethoxy)ethoxy]-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine;N-[2-[2-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]-2,2,2-trifluoroacetamide;hydride;methanol;oxido formate
• PubChem CID: 158164875
• Molecular Formula: C42H45Cl2F5K2N8O11
• Molecular Weight: 1081.96 g/mol
• Exact Mass: 1080.18
• IUPAC Name: dipotassium;7-[2-(2-aminoethoxy)ethoxy]-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine;N-[2-[2-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]-2,2,2-trifluoroacetamide;hydride;methanol;oxido formate
• SMILES: CO.COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOCCN.COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOCCNC(=O)C(F)(F)F.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C21H19ClF4N4O4.C19H20ClFN4O3.CH2O3.CH4O.2K.H/c1-32-17-9-13-16(28-11-29-19(13)30-12-2-3-15(23)14(22)8-12)10-18(17)34-7-6-33-5-4-27-20(31)21(24,25)26;1-26-17-9-13-16(10-18(17)28-7-6-27-5-4-22)23-11-24-19(13)25-12-2-3-15(21)14(20)8-12;2-1-4-3;1-2;;;/h2-3,8-11H,4-7H2,1H3,(H,27,31)(H,28,29,30);2-3,8-11H,4-7,22H2,1H3,(H,23,24,25);1,3H;2H,1H3;;;/q;;;;2*+1;-1/p-1
• InChIKey: PIKSUYYMLDOQPH-UHFFFAOYSA-M
• XLogP: -0.06
• TPSA: 255.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1081.96
LogP ≤ 5	-0.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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;7-[2-(2-aminoethoxy)ethoxy]-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine;N-[2-[2-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]-2,2,2-trifluoroacetamide;hydride;methanol;oxido formate?

The IUPAC name of dipotassium;7-[2-(2-aminoethoxy)ethoxy]-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine;N-[2-[2-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]-2,2,2-trifluoroacetamide;hydride;methanol;oxido formate (CID 158164875) is dipotassium;7-[2-(2-aminoethoxy)ethoxy]-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine;N-[2-[2-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]-2,2,2-trifluoroacetamide;hydride;methanol;oxido formate.

What is the SMILES notation for dipotassium;7-[2-(2-aminoethoxy)ethoxy]-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine;N-[2-[2-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]-2,2,2-trifluoroacetamide;hydride;methanol;oxido formate?

The canonical SMILES for dipotassium;7-[2-(2-aminoethoxy)ethoxy]-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine;N-[2-[2-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]-2,2,2-trifluoroacetamide;hydride;methanol;oxido formate is CO.COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOCCN.COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOCCNC(=O)C(F)(F)F.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;7-[2-(2-aminoethoxy)ethoxy]-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine;N-[2-[2-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]-2,2,2-trifluoroacetamide;hydride;methanol;oxido formate?

The InChIKey is PIKSUYYMLDOQPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H19ClF4N4O4.C19H20ClFN4O3.CH2O3.CH4O.2K.H/c1-32-17-9-13-16(28-11-29-19(13)30-12-2-3-15(23)14(22)8-12)10-18(17)34-7-6-33-5-4-27-20(31)21(24,25)26;1-26-17-9-13-16(10-18(17)28-7-6-27-5-4-22)23-11-24-19(13)25-12-2-3-15(21)14(20)8-12;2-1-4-3;1-2;;;/h2-3,8-11H,4-7H2,1H3,(H,27,31)(H,28,29,30);2-3,8-11H,4-7,22H2,1H3,(H,23,24,25);1,3H;2H,1H3;;;/q;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;7-[2-(2-aminoethoxy)ethoxy]-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine;N-[2-[2-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]-2,2,2-trifluoroacetamide;hydride;methanol;oxido formate?

dipotassium;7-[2-(2-aminoethoxy)ethoxy]-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine;N-[2-[2-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]-2,2,2-trifluoroacetamide;hydride;methanol;oxido formate has a molecular weight of 1081.96 g/mol, XLogP of -0.06, 20 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;7-[2-(2-aminoethoxy)ethoxy]-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine;N-[2-[2-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]-2,2,2-trifluoroacetamide;hydride;methanol;oxido formate is sourced from PubChem (CID 158164875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).