bromozinc(1+);tert-butyl 4-[6-bromo-2-(3-iodoanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;7-piperidin-4-yloxy-N-(3-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2H-1,3-thiazol-2-ide

C65H68BBr2IN12O6S2Zn — CID 159884284

IUPACbromozinc(1+);tert-butyl 4-[6-bromo-2-(3-iodoanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;7-piperidin-4-yloxy-N-(3-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2H-1,3-thiazol-2-ide
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cc3nc(Nc4cccc(I)c4)ncc3cc2Br)CC1.CC1(C)OB(c2cccnc2)OC1(C)C.[Zn+]Br.[c-]1nccs1.c1cncc(-c2cccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)c2)c1
InChIInChI=1S/C27H24N6OS.C24H26BrIN4O3.C11H16BNO2.C3H2NS.BrH.Zn/c1-3-18(19-4-2-8-29-16-19)13-21(5-1)32-27-31-17-20-14-23(26-30-11-12-35-26)25(15-24(20)33-27)34-22-6-9-28-10-7-22;1-24(2,3)33-23(31)30-9-7-18(8-10-30)32-21-13-20-15(11-19(21)25)14-27-22(29-20)28-17-6-4-5-16(26)12-17;1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9;1-2-5-3-4-1;;/h1-5,8,11-17,22,28H,6-7,9-10H2,(H,31,32,33);4-6,11-14,18H,7-10H2,1-3H3,(H,27,28,29);5-8H,1-4H3;1-2H;1H;/q;;;-1;;+2/p-1
InChIKeyXMDXLAYPWJVLJP-UHFFFAOYSA-M
MW1540.38 g/mol
LogP15.38
Rot. Bonds11

About bromozinc(1+);tert-butyl 4-[6-bromo-2-(3-iodoanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;7-piperidin-4-yloxy-N-(3-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2H-1,3-thiazol-2-ide

bromozinc(1+);tert-butyl 4-[6-bromo-2-(3-iodoanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;7-piperidin-4-yloxy-N-(3-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2H-1,3-thiazol-2-ide (PubChem CID 159884284) has the molecular formula C65H68BBr2IN12O6S2Zn and a molecular weight of 1540.38 g/mol. Its IUPAC name is bromozinc(1+);tert-butyl 4-[6-bromo-2-(3-iodoanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;7-piperidin-4-yloxy-N-(3-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2H-1,3-thiazol-2-ide.

Molecular Properties

Compound Namebromozinc(1+);tert-butyl 4-[6-bromo-2-(3-iodoanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;7-piperidin-4-yloxy-N-(3-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2H-1,3-thiazol-2-ide
PubChem CID159884284
Molecular FormulaC65H68BBr2IN12O6S2Zn
Molecular Weight1540.38 g/mol
Exact Mass1536.16
IUPAC Namebromozinc(1+);tert-butyl 4-[6-bromo-2-(3-iodoanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;7-piperidin-4-yloxy-N-(3-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2H-1,3-thiazol-2-ide
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cc3nc(Nc4cccc(I)c4)ncc3cc2Br)CC1.CC1(C)OB(c2cccnc2)OC1(C)C.[Zn+]Br.[c-]1nccs1.c1cncc(-c2cccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)c2)c1
InChIInChI=1S/C27H24N6OS.C24H26BrIN4O3.C11H16BNO2.C3H2NS.BrH.Zn/c1-3-18(19-4-2-8-29-16-19)13-21(5-1)32-27-31-17-20-14-23(26-30-11-12-35-26)25(15-24(20)33-27)34-22-6-9-28-10-7-22;1-24(2,3)33-23(31)30-9-7-18(8-10-30)32-21-13-20-15(11-19(21)25)14-27-22(29-20)28-17-6-4-5-16(26)12-17;1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9;1-2-5-3-4-1;;/h1-5,8,11-17,22,28H,6-7,9-10H2,(H,31,32,33);4-6,11-14,18H,7-10H2,1-3H3,(H,27,28,29);5-8H,1-4H3;1-2H;1H;/q;;;-1;;+2/p-1
InChIKeyXMDXLAYPWJVLJP-UHFFFAOYSA-M
XLogP15.38
TPSA205.67 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001540.38
LogP ≤ 515.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze bromozinc(1+);tert-butyl 4-[6-bromo-2-(3-iodoanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;7-piperidin-4-yloxy-N-(3-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2H-1,3-thiazol-2-ide with MolForge

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Related Compounds

6-bromo-N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;N-[4-(2-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 158343668
Tert-butyl 4-[2-(3-pyridin-3-ylanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidine-1-carboxylate
CID 67196779
Tert-butyl 2-[2-(3-pyridin-3-ylanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidine-1-carboxylate
CID 141256315
Tert-butyl 4-[6-bromo-2-(3-fluoroanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[2-(3-fluoroanilino)-6-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)quinazolin-7-yl]oxypiperidine-1-carboxylate;methane;methyl 2-bromo-1,3-thiazole-4-carboxylate;methyl 2-[2-(3-fluoroanilino)-7-piperidin-4-yloxyquinazolin-6-yl]-1,3-thiazole-4-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158068703
tert-butyl 4-[2-(3-hydroxyanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidine-1-carboxylate;7-piperidin-4-yloxy-N-(3-propoxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 158411224
6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-ethylsulfanylquinazolin-7-ol;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 158429812
6-bromo-2-chloro-7-methoxyquinazoline;6-bromo-2-methylsulfanylquinazolin-7-ol;tert-butyl 4-[6-bromo-2-(3-methoxyanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;tert-butyl 4-(6-bromo-2-methylsulfonylquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;N-(3-methoxyphenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;N-(3-methoxyphenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 158488805
[2-(2-Anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;tert-butyl 4-(2-anilino-6-bromoquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;(2-tributylstannyl-1,3-thiazol-4-yl)methanol
CID 159461771
tert-butyl 4-[2-(3-methoxyanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-yl]oxypiperidine-1-carboxylate;7-piperidin-4-yloxy-N-(3-propoxyphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 159684829
tert-butyl 4-[6-bromo-2-(3-fluoroanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;N-(3-fluorophenyl)-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-4-yl)quinazolin-2-amine;tributyl(1,3-thiazol-4-yl)stannane
CID 160153192
6-bromo-8-methyl-N-[3-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-bromo-N-[3-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;N-[4-(difluoromethyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine;[3-[[7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenyl]methanesulfonamide
CID 160327423
bromozinc(1+);tert-butyl 4-[[6-bromo-2-[4-(methylcarbamoyl)anilino]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;N-methyl-4-[[7-(piperidin-4-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]benzamide;2H-1,3-thiazol-2-ide
CID 160846360

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);tert-butyl 4-[6-bromo-2-(3-iodoanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;7-piperidin-4-yloxy-N-(3-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2H-1,3-thiazol-2-ide?
The IUPAC name of bromozinc(1+);tert-butyl 4-[6-bromo-2-(3-iodoanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;7-piperidin-4-yloxy-N-(3-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2H-1,3-thiazol-2-ide (CID 159884284) is bromozinc(1+);tert-butyl 4-[6-bromo-2-(3-iodoanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;7-piperidin-4-yloxy-N-(3-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2H-1,3-thiazol-2-ide.
What is the SMILES notation for bromozinc(1+);tert-butyl 4-[6-bromo-2-(3-iodoanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;7-piperidin-4-yloxy-N-(3-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2H-1,3-thiazol-2-ide?
The canonical SMILES for bromozinc(1+);tert-butyl 4-[6-bromo-2-(3-iodoanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;7-piperidin-4-yloxy-N-(3-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2H-1,3-thiazol-2-ide is CC(C)(C)OC(=O)N1CCC(Oc2cc3nc(Nc4cccc(I)c4)ncc3cc2Br)CC1.CC1(C)OB(c2cccnc2)OC1(C)C.[Zn+]Br.[c-]1nccs1.c1cncc(-c2cccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)c2)c1.
What is the InChIKey of bromozinc(1+);tert-butyl 4-[6-bromo-2-(3-iodoanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;7-piperidin-4-yloxy-N-(3-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2H-1,3-thiazol-2-ide?
The InChIKey is XMDXLAYPWJVLJP-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H24N6OS.C24H26BrIN4O3.C11H16BNO2.C3H2NS.BrH.Zn/c1-3-18(19-4-2-8-29-16-19)13-21(5-1)32-27-31-17-20-14-23(26-30-11-12-35-26)25(15-24(20)33-27)34-22-6-9-28-10-7-22;1-24(2,3)33-23(31)30-9-7-18(8-10-30)32-21-13-20-15(11-19(21)25)14-27-22(29-20)28-17-6-4-5-16(26)12-17;1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9;1-2-5-3-4-1;;/h1-5,8,11-17,22,28H,6-7,9-10H2,(H,31,32,33);4-6,11-14,18H,7-10H2,1-3H3,(H,27,28,29);5-8H,1-4H3;1-2H;1H;/q;;;-1;;+2/p-1.
What are the key properties of bromozinc(1+);tert-butyl 4-[6-bromo-2-(3-iodoanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;7-piperidin-4-yloxy-N-(3-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2H-1,3-thiazol-2-ide?
bromozinc(1+);tert-butyl 4-[6-bromo-2-(3-iodoanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;7-piperidin-4-yloxy-N-(3-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2H-1,3-thiazol-2-ide has a molecular weight of 1540.38 g/mol, XLogP of 15.38, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);tert-butyl 4-[6-bromo-2-(3-iodoanilino)quinazolin-7-yl]oxypiperidine-1-carboxylate;7-piperidin-4-yloxy-N-(3-pyridin-3-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-2-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2H-1,3-thiazol-2-ide is sourced from PubChem (CID 159884284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).