potassium;7-bromo-6-chloro-8-fluoro-4-piperidin-1-yl-2-(2-pyridin-2-ylethoxy)quinazoline;1-[4-[7-bromo-6-chloro-8-fluoro-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-bromo-2,6-dichloro-8-fluoro-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-methoxyphenyl)boronic acid;prop-2-enoyl chloride;2-pyridin-2-ylethanol;tribromoborane;fluoride

C101H96B2Br6Cl6F7KN18O11 — CID 158867733

About potassium;7-bromo-6-chloro-8-fluoro-4-piperidin-1-yl-2-(2-pyridin-2-ylethoxy)quinazoline;1-[4-[7-bromo-6-chloro-8-fluoro-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-bromo-2,6-dichloro-8-fluoro-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-methoxyphenyl)boronic acid;prop-2-enoyl chloride;2-pyridin-2-ylethanol;tribromoborane;fluoride

potassium;7-bromo-6-chloro-8-fluoro-4-piperidin-1-yl-2-(2-pyridin-2-ylethoxy)quinazoline;1-[4-[7-bromo-6-chloro-8-fluoro-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-bromo-2,6-dichloro-8-fluoro-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-methoxyphenyl)boronic acid;prop-2-enoyl chloride;2-pyridin-2-ylethanol;tribromoborane;fluoride (PubChem CID 158867733) has the molecular formula C101H96B2Br6Cl6F7KN18O11 and a molecular weight of 2623.84 g/mol. Its IUPAC name is potassium;7-bromo-6-chloro-8-fluoro-4-piperidin-1-yl-2-(2-pyridin-2-ylethoxy)quinazoline;1-[4-[7-bromo-6-chloro-8-fluoro-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-bromo-2,6-dichloro-8-fluoro-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-methoxyphenyl)boronic acid;prop-2-enoyl chloride;2-pyridin-2-ylethanol;tribromoborane;fluoride.

Molecular Properties

• Compound Name: potassium;7-bromo-6-chloro-8-fluoro-4-piperidin-1-yl-2-(2-pyridin-2-ylethoxy)quinazoline;1-[4-[7-bromo-6-chloro-8-fluoro-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-bromo-2,6-dichloro-8-fluoro-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-methoxyphenyl)boronic acid;prop-2-enoyl chloride;2-pyridin-2-ylethanol;tribromoborane;fluoride
• PubChem CID: 158867733
• Molecular Formula: C101H96B2Br6Cl6F7KN18O11
• Molecular Weight: 2623.84 g/mol
• Exact Mass: 2614.04
• IUPAC Name: potassium;7-bromo-6-chloro-8-fluoro-4-piperidin-1-yl-2-(2-pyridin-2-ylethoxy)quinazoline;1-[4-[7-bromo-6-chloro-8-fluoro-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-bromo-2,6-dichloro-8-fluoro-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-methoxyphenyl)boronic acid;prop-2-enoyl chloride;2-pyridin-2-ylethanol;tribromoborane;fluoride
• SMILES: BrB(Br)Br.C=CC(=O)Cl.C=CC(=O)N1CCN(c2nc(OCCc3ccccn3)nc3c(F)c(-c4c(F)cccc4OC)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(OCCc3ccccn3)nc3c(F)c(Br)c(Cl)cc23)CC1.COc1cccc(F)c1B(O)O.Fc1c(Br)c(Cl)cc2c(N3CCCCC3)nc(Cl)nc12.Fc1c(Br)c(Cl)cc2c(N3CCCCC3)nc(OCCc3ccccn3)nc12.OCCc1ccccn1.[F-].[K+]
• InChI: InChI=1S/C29H26ClF2N5O3.C22H20BrClFN5O2.C20H19BrClFN4O.C13H11BrCl2FN3.C7H8BFO3.C7H9NO.C3H3ClO.BBr3.FH.K/c1-3-23(38)36-12-14-37(15-13-36)28-19-17-20(30)24(25-21(31)8-6-9-22(25)39-2)26(32)27(19)34-29(35-28)40-16-10-18-7-4-5-11-33-18;1-2-17(31)29-8-10-30(11-9-29)21-15-13-16(24)18(23)19(25)20(15)27-22(28-21)32-12-6-14-5-3-4-7-26-14;21-16-15(22)12-14-18(17(16)23)25-20(26-19(14)27-9-4-1-5-10-27)28-11-7-13-6-2-3-8-24-13;14-9-8(15)6-7-11(10(9)17)18-13(16)19-12(7)20-4-2-1-3-5-20;1-12-6-4-2-3-5(9)7(6)8(10)11;9-6-4-7-3-1-2-5-8-7;1-2-3(4)5;2-1(3)4;;/h3-9,11,17H,1,10,12-16H2,2H3;2-5,7,13H,1,6,8-12H2;2-3,6,8,12H,1,4-5,7,9-11H2;6H,1-5H2;2-4,10-11H,1H3;1-3,5,9H,4,6H2;2H,1H2;;1H;/q;;;;;;;;;+1/p-1
• InChIKey: JBLLECWQKHOOJU-UHFFFAOYSA-M
• XLogP: 16.38
• TPSA: 332.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2623.84
LogP ≤ 5	16.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

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 potassium;7-bromo-6-chloro-8-fluoro-4-piperidin-1-yl-2-(2-pyridin-2-ylethoxy)quinazoline;1-[4-[7-bromo-6-chloro-8-fluoro-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-bromo-2,6-dichloro-8-fluoro-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-methoxyphenyl)boronic acid;prop-2-enoyl chloride;2-pyridin-2-ylethanol;tribromoborane;fluoride?

The IUPAC name of potassium;7-bromo-6-chloro-8-fluoro-4-piperidin-1-yl-2-(2-pyridin-2-ylethoxy)quinazoline;1-[4-[7-bromo-6-chloro-8-fluoro-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-bromo-2,6-dichloro-8-fluoro-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-methoxyphenyl)boronic acid;prop-2-enoyl chloride;2-pyridin-2-ylethanol;tribromoborane;fluoride (CID 158867733) is potassium;7-bromo-6-chloro-8-fluoro-4-piperidin-1-yl-2-(2-pyridin-2-ylethoxy)quinazoline;1-[4-[7-bromo-6-chloro-8-fluoro-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-bromo-2,6-dichloro-8-fluoro-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-methoxyphenyl)boronic acid;prop-2-enoyl chloride;2-pyridin-2-ylethanol;tribromoborane;fluoride.

What is the SMILES notation for potassium;7-bromo-6-chloro-8-fluoro-4-piperidin-1-yl-2-(2-pyridin-2-ylethoxy)quinazoline;1-[4-[7-bromo-6-chloro-8-fluoro-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-bromo-2,6-dichloro-8-fluoro-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-methoxyphenyl)boronic acid;prop-2-enoyl chloride;2-pyridin-2-ylethanol;tribromoborane;fluoride?

The canonical SMILES for potassium;7-bromo-6-chloro-8-fluoro-4-piperidin-1-yl-2-(2-pyridin-2-ylethoxy)quinazoline;1-[4-[7-bromo-6-chloro-8-fluoro-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-bromo-2,6-dichloro-8-fluoro-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-methoxyphenyl)boronic acid;prop-2-enoyl chloride;2-pyridin-2-ylethanol;tribromoborane;fluoride is BrB(Br)Br.C=CC(=O)Cl.C=CC(=O)N1CCN(c2nc(OCCc3ccccn3)nc3c(F)c(-c4c(F)cccc4OC)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(OCCc3ccccn3)nc3c(F)c(Br)c(Cl)cc23)CC1.COc1cccc(F)c1B(O)O.Fc1c(Br)c(Cl)cc2c(N3CCCCC3)nc(Cl)nc12.Fc1c(Br)c(Cl)cc2c(N3CCCCC3)nc(OCCc3ccccn3)nc12.OCCc1ccccn1.[F-].[K+].

What is the InChIKey of potassium;7-bromo-6-chloro-8-fluoro-4-piperidin-1-yl-2-(2-pyridin-2-ylethoxy)quinazoline;1-[4-[7-bromo-6-chloro-8-fluoro-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-bromo-2,6-dichloro-8-fluoro-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-methoxyphenyl)boronic acid;prop-2-enoyl chloride;2-pyridin-2-ylethanol;tribromoborane;fluoride?

The InChIKey is JBLLECWQKHOOJU-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H26ClF2N5O3.C22H20BrClFN5O2.C20H19BrClFN4O.C13H11BrCl2FN3.C7H8BFO3.C7H9NO.C3H3ClO.BBr3.FH.K/c1-3-23(38)36-12-14-37(15-13-36)28-19-17-20(30)24(25-21(31)8-6-9-22(25)39-2)26(32)27(19)34-29(35-28)40-16-10-18-7-4-5-11-33-18;1-2-17(31)29-8-10-30(11-9-29)21-15-13-16(24)18(23)19(25)20(15)27-22(28-21)32-12-6-14-5-3-4-7-26-14;21-16-15(22)12-14-18(17(16)23)25-20(26-19(14)27-9-4-1-5-10-27)28-11-7-13-6-2-3-8-24-13;14-9-8(15)6-7-11(10(9)17)18-13(16)19-12(7)20-4-2-1-3-5-20;1-12-6-4-2-3-5(9)7(6)8(10)11;9-6-4-7-3-1-2-5-8-7;1-2-3(4)5;2-1(3)4;;/h3-9,11,17H,1,10,12-16H2,2H3;2-5,7,13H,1,6,8-12H2;2-3,6,8,12H,1,4-5,7,9-11H2;6H,1-5H2;2-4,10-11H,1H3;1-3,5,9H,4,6H2;2H,1H2;;1H;/q;;;;;;;;;+1/p-1.

What are the key properties of potassium;7-bromo-6-chloro-8-fluoro-4-piperidin-1-yl-2-(2-pyridin-2-ylethoxy)quinazoline;1-[4-[7-bromo-6-chloro-8-fluoro-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-bromo-2,6-dichloro-8-fluoro-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-methoxyphenyl)boronic acid;prop-2-enoyl chloride;2-pyridin-2-ylethanol;tribromoborane;fluoride?

potassium;7-bromo-6-chloro-8-fluoro-4-piperidin-1-yl-2-(2-pyridin-2-ylethoxy)quinazoline;1-[4-[7-bromo-6-chloro-8-fluoro-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-bromo-2,6-dichloro-8-fluoro-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-methoxyphenyl)boronic acid;prop-2-enoyl chloride;2-pyridin-2-ylethanol;tribromoborane;fluoride has a molecular weight of 2623.84 g/mol, XLogP of 16.38, 25 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;7-bromo-6-chloro-8-fluoro-4-piperidin-1-yl-2-(2-pyridin-2-ylethoxy)quinazoline;1-[4-[7-bromo-6-chloro-8-fluoro-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-bromo-2,6-dichloro-8-fluoro-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(2-fluoro-6-methoxyphenyl)boronic acid;prop-2-enoyl chloride;2-pyridin-2-ylethanol;tribromoborane;fluoride is sourced from PubChem (CID 158867733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).