2-[2-(2-aminoethylcarbamoyloxy)ethyl-[2-[4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carbonyl]oxyethyl]amino]ethyl 4-[[4-(4-bromo-2-fluoroanilino)-6-(hydroxymethyl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;2-[bis(2-hydroxyethyl)amino]ethanol;2-[bis[2-(imidazole-1-carbonyloxy)ethyl]amino]ethyl imidazole-1-carboxylate;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;bis(N,N-diethylethanamine);di(imidazol-1-yl)methanone

C118H157Br3F3N29O22 — CID 160771944

About 2-[2-(2-aminoethylcarbamoyloxy)ethyl-[2-[4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carbonyl]oxyethyl]amino]ethyl 4-[[4-(4-bromo-2-fluoroanilino)-6-(hydroxymethyl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;2-[bis(2-hydroxyethyl)amino]ethanol;2-[bis[2-(imidazole-1-carbonyloxy)ethyl]amino]ethyl imidazole-1-carboxylate;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;bis(N,N-diethylethanamine);di(imidazol-1-yl)methanone

2-[2-(2-aminoethylcarbamoyloxy)ethyl-[2-[4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carbonyl]oxyethyl]amino]ethyl 4-[[4-(4-bromo-2-fluoroanilino)-6-(hydroxymethyl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;2-[bis(2-hydroxyethyl)amino]ethanol;2-[bis[2-(imidazole-1-carbonyloxy)ethyl]amino]ethyl imidazole-1-carboxylate;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;bis(N,N-diethylethanamine);di(imidazol-1-yl)methanone (PubChem CID 160771944) has the molecular formula C118H157Br3F3N29O22 and a molecular weight of 2630.44 g/mol. Its IUPAC name is 2-[2-(2-aminoethylcarbamoyloxy)ethyl-[2-[4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carbonyl]oxyethyl]amino]ethyl 4-[[4-(4-bromo-2-fluoroanilino)-6-(hydroxymethyl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;2-[bis(2-hydroxyethyl)amino]ethanol;2-[bis[2-(imidazole-1-carbonyloxy)ethyl]amino]ethyl imidazole-1-carboxylate;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;bis(N,N-diethylethanamine);di(imidazol-1-yl)methanone.

Molecular Properties

• Compound Name: 2-[2-(2-aminoethylcarbamoyloxy)ethyl-[2-[4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carbonyl]oxyethyl]amino]ethyl 4-[[4-(4-bromo-2-fluoroanilino)-6-(hydroxymethyl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;2-[bis(2-hydroxyethyl)amino]ethanol;2-[bis[2-(imidazole-1-carbonyloxy)ethyl]amino]ethyl imidazole-1-carboxylate;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;bis(N,N-diethylethanamine);di(imidazol-1-yl)methanone
• PubChem CID: 160771944
• Molecular Formula: C118H157Br3F3N29O22
• Molecular Weight: 2630.44 g/mol
• Exact Mass: 2625.96
• IUPAC Name: 2-[2-(2-aminoethylcarbamoyloxy)ethyl-[2-[4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carbonyl]oxyethyl]amino]ethyl 4-[[4-(4-bromo-2-fluoroanilino)-6-(hydroxymethyl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;2-[bis(2-hydroxyethyl)amino]ethanol;2-[bis[2-(imidazole-1-carbonyloxy)ethyl]amino]ethyl imidazole-1-carboxylate;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;bis(N,N-diethylethanamine);di(imidazol-1-yl)methanone
• SMILES: CCN(CC)CC.CCN(CC)CC.COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C(=O)OCCN(CCOC(=O)NCCN)CCOC(=O)N2CCC(COc3cc4ncnc(Nc5ccc(Br)cc5F)c4cc3CO)CC2)CC1.COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1.O=C(OCCN(CCOC(=O)n1ccnc1)CCOC(=O)n1ccnc1)n1ccnc1.O=C(n1ccnc1)n1ccnc1.OCCN(CCO)CCO
• InChI: InChI=1S/C53H61Br2F2N11O10.C22H24BrFN4O2.C18H21N7O6.C7H6N4O.C6H15NO3.2C6H15N/c1-73-47-25-39-45(61-32-63-50(39)65-43-5-3-37(55)24-41(43)57)27-48(47)78-30-34-8-14-68(15-9-34)53(72)76-21-18-66(16-19-74-51(70)59-11-10-58)17-20-75-52(71)67-12-6-33(7-13-67)29-77-46-26-44-38(22-35(46)28-69)49(62-31-60-44)64-42-4-2-36(54)23-40(42)56;1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24;26-16(23-4-1-19-13-23)29-10-7-22(8-11-30-17(27)24-5-2-20-14-24)9-12-31-18(28)25-6-3-21-15-25;12-7(10-3-1-8-5-10)11-4-2-9-6-11;8-4-1-7(2-5-9)3-6-10;2*1-4-7(5-2)6-3/h2-5,22-27,31-34,69H,6-21,28-30,58H2,1H3,(H,59,70)(H,60,62,64)(H,61,63,65);3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27);1-6,13-15H,7-12H2;1-6H;8-10H,1-6H2;2*4-6H2,1-3H3
• InChIKey: RZKWLFNKPUGASG-UHFFFAOYSA-N
• XLogP: 16.00
• TPSA: 568.44 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 48
• Rotatable Bonds: 50
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2630.44
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethylcarbamoyloxy)ethyl-[2-[4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carbonyl]oxyethyl]amino]ethyl 4-[[4-(4-bromo-2-fluoroanilino)-6-(hydroxymethyl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;2-[bis(2-hydroxyethyl)amino]ethanol;2-[bis[2-(imidazole-1-carbonyloxy)ethyl]amino]ethyl imidazole-1-carboxylate;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;bis(N,N-diethylethanamine);di(imidazol-1-yl)methanone?

The IUPAC name of 2-[2-(2-aminoethylcarbamoyloxy)ethyl-[2-[4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carbonyl]oxyethyl]amino]ethyl 4-[[4-(4-bromo-2-fluoroanilino)-6-(hydroxymethyl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;2-[bis(2-hydroxyethyl)amino]ethanol;2-[bis[2-(imidazole-1-carbonyloxy)ethyl]amino]ethyl imidazole-1-carboxylate;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;bis(N,N-diethylethanamine);di(imidazol-1-yl)methanone (CID 160771944) is 2-[2-(2-aminoethylcarbamoyloxy)ethyl-[2-[4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carbonyl]oxyethyl]amino]ethyl 4-[[4-(4-bromo-2-fluoroanilino)-6-(hydroxymethyl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;2-[bis(2-hydroxyethyl)amino]ethanol;2-[bis[2-(imidazole-1-carbonyloxy)ethyl]amino]ethyl imidazole-1-carboxylate;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;bis(N,N-diethylethanamine);di(imidazol-1-yl)methanone.

What is the SMILES notation for 2-[2-(2-aminoethylcarbamoyloxy)ethyl-[2-[4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carbonyl]oxyethyl]amino]ethyl 4-[[4-(4-bromo-2-fluoroanilino)-6-(hydroxymethyl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;2-[bis(2-hydroxyethyl)amino]ethanol;2-[bis[2-(imidazole-1-carbonyloxy)ethyl]amino]ethyl imidazole-1-carboxylate;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;bis(N,N-diethylethanamine);di(imidazol-1-yl)methanone?

The canonical SMILES for 2-[2-(2-aminoethylcarbamoyloxy)ethyl-[2-[4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carbonyl]oxyethyl]amino]ethyl 4-[[4-(4-bromo-2-fluoroanilino)-6-(hydroxymethyl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;2-[bis(2-hydroxyethyl)amino]ethanol;2-[bis[2-(imidazole-1-carbonyloxy)ethyl]amino]ethyl imidazole-1-carboxylate;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;bis(N,N-diethylethanamine);di(imidazol-1-yl)methanone is CCN(CC)CC.CCN(CC)CC.COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C(=O)OCCN(CCOC(=O)NCCN)CCOC(=O)N2CCC(COc3cc4ncnc(Nc5ccc(Br)cc5F)c4cc3CO)CC2)CC1.COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1.O=C(OCCN(CCOC(=O)n1ccnc1)CCOC(=O)n1ccnc1)n1ccnc1.O=C(n1ccnc1)n1ccnc1.OCCN(CCO)CCO.

What is the InChIKey of 2-[2-(2-aminoethylcarbamoyloxy)ethyl-[2-[4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carbonyl]oxyethyl]amino]ethyl 4-[[4-(4-bromo-2-fluoroanilino)-6-(hydroxymethyl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;2-[bis(2-hydroxyethyl)amino]ethanol;2-[bis[2-(imidazole-1-carbonyloxy)ethyl]amino]ethyl imidazole-1-carboxylate;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;bis(N,N-diethylethanamine);di(imidazol-1-yl)methanone?

The InChIKey is RZKWLFNKPUGASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H61Br2F2N11O10.C22H24BrFN4O2.C18H21N7O6.C7H6N4O.C6H15NO3.2C6H15N/c1-73-47-25-39-45(61-32-63-50(39)65-43-5-3-37(55)24-41(43)57)27-48(47)78-30-34-8-14-68(15-9-34)53(72)76-21-18-66(16-19-74-51(70)59-11-10-58)17-20-75-52(71)67-12-6-33(7-13-67)29-77-46-26-44-38(22-35(46)28-69)49(62-31-60-44)64-42-4-2-36(54)23-40(42)56;1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24;26-16(23-4-1-19-13-23)29-10-7-22(8-11-30-17(27)24-5-2-20-14-24)9-12-31-18(28)25-6-3-21-15-25;12-7(10-3-1-8-5-10)11-4-2-9-6-11;8-4-1-7(2-5-9)3-6-10;2*1-4-7(5-2)6-3/h2-5,22-27,31-34,69H,6-21,28-30,58H2,1H3,(H,59,70)(H,60,62,64)(H,61,63,65);3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27);1-6,13-15H,7-12H2;1-6H;8-10H,1-6H2;2*4-6H2,1-3H3.

What are the key properties of 2-[2-(2-aminoethylcarbamoyloxy)ethyl-[2-[4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carbonyl]oxyethyl]amino]ethyl 4-[[4-(4-bromo-2-fluoroanilino)-6-(hydroxymethyl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;2-[bis(2-hydroxyethyl)amino]ethanol;2-[bis[2-(imidazole-1-carbonyloxy)ethyl]amino]ethyl imidazole-1-carboxylate;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;bis(N,N-diethylethanamine);di(imidazol-1-yl)methanone?

2-[2-(2-aminoethylcarbamoyloxy)ethyl-[2-[4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carbonyl]oxyethyl]amino]ethyl 4-[[4-(4-bromo-2-fluoroanilino)-6-(hydroxymethyl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;2-[bis(2-hydroxyethyl)amino]ethanol;2-[bis[2-(imidazole-1-carbonyloxy)ethyl]amino]ethyl imidazole-1-carboxylate;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;bis(N,N-diethylethanamine);di(imidazol-1-yl)methanone has a molecular weight of 2630.44 g/mol, XLogP of 16.00, 50 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-aminoethylcarbamoyloxy)ethyl-[2-[4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carbonyl]oxyethyl]amino]ethyl 4-[[4-(4-bromo-2-fluoroanilino)-6-(hydroxymethyl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;2-[bis(2-hydroxyethyl)amino]ethanol;2-[bis[2-(imidazole-1-carbonyloxy)ethyl]amino]ethyl imidazole-1-carboxylate;N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;bis(N,N-diethylethanamine);di(imidazol-1-yl)methanone is sourced from PubChem (CID 160771944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).