4-[2-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)oxyethyl]morpholine;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-hydroxyphenyl)boronic acid;2-morpholin-4-ylethanol;prop-2-enoyl chloride

C107H125BBr2Cl6F7N19O19 — CID 157244255

About 4-[2-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)oxyethyl]morpholine;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-hydroxyphenyl)boronic acid;2-morpholin-4-ylethanol;prop-2-enoyl chloride

4-[2-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)oxyethyl]morpholine;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-hydroxyphenyl)boronic acid;2-morpholin-4-ylethanol;prop-2-enoyl chloride (PubChem CID 157244255) has the molecular formula C107H125BBr2Cl6F7N19O19 and a molecular weight of 2497.61 g/mol. Its IUPAC name is 4-[2-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)oxyethyl]morpholine;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-hydroxyphenyl)boronic acid;2-morpholin-4-ylethanol;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 4-[2-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)oxyethyl]morpholine;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-hydroxyphenyl)boronic acid;2-morpholin-4-ylethanol;prop-2-enoyl chloride
• PubChem CID: 157244255
• Molecular Formula: C107H125BBr2Cl6F7N19O19
• Molecular Weight: 2497.61 g/mol
• Exact Mass: 2491.59
• IUPAC Name: 4-[2-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)oxyethyl]morpholine;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-hydroxyphenyl)boronic acid;2-morpholin-4-ylethanol;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)N1CCN(c2nc(OCCN3CCOCC3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2nc(Cl)nc3c(F)c(Br)c(Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2nc(OCCN3CCOCC3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.Fc1c(Br)c(Cl)cc2c(N3CCCCC3)nc(OCCN3CCOCC3)nc12.OB(O)c1c(O)cccc1F.OCCN1CCOCC1
• InChI: InChI=1S/C29H34ClF2N5O5.C27H28ClF2N5O4.C19H23BrClFN4O2.C17H18BrCl2FN4O2.C6H6BFO3.C6H13NO2.C3H3ClO/c1-29(2,3)42-28(39)37-9-7-36(8-10-37)26-18-17-19(30)22(23-20(31)5-4-6-21(23)38)24(32)25(18)33-27(34-26)41-16-13-35-11-14-40-15-12-35;1-2-21(37)34-6-8-35(9-7-34)26-17-16-18(28)22(23-19(29)4-3-5-20(23)36)24(30)25(17)31-27(32-26)39-15-12-33-10-13-38-14-11-33;20-15-14(21)12-13-17(16(15)22)23-19(24-18(13)26-4-2-1-3-5-26)28-11-8-25-6-9-27-10-7-25;1-17(2,3)27-16(26)25-6-4-24(5-7-25)14-9-8-10(19)11(18)12(21)13(9)22-15(20)23-14;8-4-2-1-3-5(9)6(4)7(10)11;8-4-1-7-2-5-9-6-3-7;1-2-3(4)5/h4-6,17,38H,7-16H2,1-3H3;2-5,16,36H,1,6-15H2;12H,1-11H2;8H,4-7H2,1-3H3;1-3,9-11H;8H,1-6H2;2H,1H2
• InChIKey: AVOLJEZZJFRSIR-UHFFFAOYSA-N
• XLogP: 16.42
• TPSA: 411.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 23
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2497.61
LogP ≤ 5	16.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)oxyethyl]morpholine;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-hydroxyphenyl)boronic acid;2-morpholin-4-ylethanol;prop-2-enoyl chloride?

The IUPAC name of 4-[2-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)oxyethyl]morpholine;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-hydroxyphenyl)boronic acid;2-morpholin-4-ylethanol;prop-2-enoyl chloride (CID 157244255) is 4-[2-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)oxyethyl]morpholine;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-hydroxyphenyl)boronic acid;2-morpholin-4-ylethanol;prop-2-enoyl chloride.

What is the SMILES notation for 4-[2-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)oxyethyl]morpholine;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-hydroxyphenyl)boronic acid;2-morpholin-4-ylethanol;prop-2-enoyl chloride?

The canonical SMILES for 4-[2-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)oxyethyl]morpholine;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-hydroxyphenyl)boronic acid;2-morpholin-4-ylethanol;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)N1CCN(c2nc(OCCN3CCOCC3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2nc(Cl)nc3c(F)c(Br)c(Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2nc(OCCN3CCOCC3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.Fc1c(Br)c(Cl)cc2c(N3CCCCC3)nc(OCCN3CCOCC3)nc12.OB(O)c1c(O)cccc1F.OCCN1CCOCC1.

What is the InChIKey of 4-[2-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)oxyethyl]morpholine;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-hydroxyphenyl)boronic acid;2-morpholin-4-ylethanol;prop-2-enoyl chloride?

The InChIKey is AVOLJEZZJFRSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClF2N5O5.C27H28ClF2N5O4.C19H23BrClFN4O2.C17H18BrCl2FN4O2.C6H6BFO3.C6H13NO2.C3H3ClO/c1-29(2,3)42-28(39)37-9-7-36(8-10-37)26-18-17-19(30)22(23-20(31)5-4-6-21(23)38)24(32)25(18)33-27(34-26)41-16-13-35-11-14-40-15-12-35;1-2-21(37)34-6-8-35(9-7-34)26-17-16-18(28)22(23-19(29)4-3-5-20(23)36)24(30)25(17)31-27(32-26)39-15-12-33-10-13-38-14-11-33;20-15-14(21)12-13-17(16(15)22)23-19(24-18(13)26-4-2-1-3-5-26)28-11-8-25-6-9-27-10-7-25;1-17(2,3)27-16(26)25-6-4-24(5-7-25)14-9-8-10(19)11(18)12(21)13(9)22-15(20)23-14;8-4-2-1-3-5(9)6(4)7(10)11;8-4-1-7-2-5-9-6-3-7;1-2-3(4)5/h4-6,17,38H,7-16H2,1-3H3;2-5,16,36H,1,6-15H2;12H,1-11H2;8H,4-7H2,1-3H3;1-3,9-11H;8H,1-6H2;2H,1H2.

What are the key properties of 4-[2-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)oxyethyl]morpholine;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-hydroxyphenyl)boronic acid;2-morpholin-4-ylethanol;prop-2-enoyl chloride?

4-[2-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)oxyethyl]morpholine;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-hydroxyphenyl)boronic acid;2-morpholin-4-ylethanol;prop-2-enoyl chloride has a molecular weight of 2497.61 g/mol, XLogP of 16.42, 23 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(7-bromo-6-chloro-8-fluoro-4-piperidin-1-ylquinazolin-2-yl)oxyethyl]morpholine;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-hydroxyphenyl)boronic acid;2-morpholin-4-ylethanol;prop-2-enoyl chloride is sourced from PubChem (CID 157244255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).