tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)quinazoline;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-[6-chloro-8-fluoro-4-(4-methylsulfonylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenol;(2-fluoro-6-methoxyphenyl)boronic acid;tribromoborane

C107H106B2Br4Cl5F10N19O15S2 — CID 158565856

IUPACtert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)quinazoline;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-[6-chloro-8-fluoro-4-(4-methylsulfonylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenol;(2-fluoro-6-methoxyphenyl)boronic acid;tribromoborane
SMILESBrB(Br)Br.CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(Br)c(Cl)cc23)CC1.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCCCC3)ncnc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(S(C)(=O)=O)CC3)ncnc2c1F.COc1cccc(F)c1B(O)O.CS(=O)(=O)N1CCN(c2ncnc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1
InChIInChI=1S/C24H25ClF2N4O3.C20H19ClF2N4O3S.C20H18ClF2N3O.C19H17ClF2N4O3S.C17H19BrClFN4O2.C7H8BFO3.BBr3/c1-24(2,3)34-23(32)31-10-8-30(9-11-31)22-14-12-15(25)18(20(27)21(14)28-13-29-22)19-16(26)6-5-7-17(19)33-4;1-30-15-5-3-4-14(22)17(15)16-13(21)10-12-19(18(16)23)24-11-25-20(12)26-6-8-27(9-7-26)31(2,28)29;1-27-15-7-5-6-14(22)17(15)16-13(21)10-12-19(18(16)23)24-11-25-20(12)26-8-3-2-4-9-26;1-30(28,29)26-7-5-25(6-8-26)19-11-9-12(20)15(17(22)18(11)23-10-24-19)16-13(21)3-2-4-14(16)27;1-17(2,3)26-16(25)24-6-4-23(5-7-24)15-10-8-11(19)12(18)13(20)14(10)21-9-22-15;1-12-6-4-2-3-5(9)7(6)8(10)11;2-1(3)4/h5-7,12-13H,8-11H2,1-4H3;3-5,10-11H,6-9H2,1-2H3;5-7,10-11H,2-4,8-9H2,1H3;2-4,9-10,27H,5-8H2,1H3;8-9H,4-7H2,1-3H3;2-4,10-11H,1H3;
InChIKeyHRLRSKFJVQWYOM-UHFFFAOYSA-N
MW2670.76 g/mol
LogP22.77
Rot. Bonds16

About tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)quinazoline;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-[6-chloro-8-fluoro-4-(4-methylsulfonylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenol;(2-fluoro-6-methoxyphenyl)boronic acid;tribromoborane

tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)quinazoline;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-[6-chloro-8-fluoro-4-(4-methylsulfonylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenol;(2-fluoro-6-methoxyphenyl)boronic acid;tribromoborane (PubChem CID 158565856) has the molecular formula C107H106B2Br4Cl5F10N19O15S2 and a molecular weight of 2670.76 g/mol. Its IUPAC name is tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)quinazoline;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-[6-chloro-8-fluoro-4-(4-methylsulfonylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenol;(2-fluoro-6-methoxyphenyl)boronic acid;tribromoborane.

Molecular Properties

Compound Nametert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)quinazoline;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-[6-chloro-8-fluoro-4-(4-methylsulfonylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenol;(2-fluoro-6-methoxyphenyl)boronic acid;tribromoborane
PubChem CID158565856
Molecular FormulaC107H106B2Br4Cl5F10N19O15S2
Molecular Weight2670.76 g/mol
Exact Mass2663.28
IUPAC Nametert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)quinazoline;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-[6-chloro-8-fluoro-4-(4-methylsulfonylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenol;(2-fluoro-6-methoxyphenyl)boronic acid;tribromoborane
SMILESBrB(Br)Br.CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(Br)c(Cl)cc23)CC1.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCCCC3)ncnc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(S(C)(=O)=O)CC3)ncnc2c1F.COc1cccc(F)c1B(O)O.CS(=O)(=O)N1CCN(c2ncnc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1
InChIInChI=1S/C24H25ClF2N4O3.C20H19ClF2N4O3S.C20H18ClF2N3O.C19H17ClF2N4O3S.C17H19BrClFN4O2.C7H8BFO3.BBr3/c1-24(2,3)34-23(32)31-10-8-30(9-11-31)22-14-12-15(25)18(20(27)21(14)28-13-29-22)19-16(26)6-5-7-17(19)33-4;1-30-15-5-3-4-14(22)17(15)16-13(21)10-12-19(18(16)23)24-11-25-20(12)26-6-8-27(9-7-26)31(2,28)29;1-27-15-7-5-6-14(22)17(15)16-13(21)10-12-19(18(16)23)24-11-25-20(12)26-8-3-2-4-9-26;1-30(28,29)26-7-5-25(6-8-26)19-11-9-12(20)15(17(22)18(11)23-10-24-19)16-13(21)3-2-4-14(16)27;1-17(2,3)26-16(25)24-6-4-23(5-7-24)15-10-8-11(19)12(18)13(20)14(10)21-9-22-15;1-12-6-4-2-3-5(9)7(6)8(10)11;2-1(3)4/h5-7,12-13H,8-11H2,1-4H3;3-5,10-11H,6-9H2,1-2H3;5-7,10-11H,2-4,8-9H2,1H3;2-4,9-10,27H,5-8H2,1H3;8-9H,4-7H2,1-3H3;2-4,10-11H,1H3;
InChIKeyHRLRSKFJVQWYOM-UHFFFAOYSA-N
XLogP22.77
TPSA376.55 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds16
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002670.76
LogP ≤ 522.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)quinazoline;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-[6-chloro-8-fluoro-4-(4-methylsulfonylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenol;(2-fluoro-6-methoxyphenyl)boronic acid;tribromoborane with MolForge

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Related Compounds

tert-butyl 4-[6-chloro-8-fluoro-7-(2-methoxy-6-methylphenyl)quinazolin-4-yl]piperazine-1-carboxylate
CID 156527886
tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate
CID 118010241
tert-butyl (3R)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]-3-methylpiperazine-1-carboxylate
CID 129227034
tert-butyl (3S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]-3-methylpiperazine-1-carboxylate
CID 178152891
tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-[(pyrimidin-2-ylmethylamino)methyl]quinazolin-4-yl]piperazine-1-carboxylate
CID 131965147
tert-butyl 4-(6-chloro-8-fluoro-7-methylquinazolin-4-yl)piperazine-1-carboxylate
CID 139540046
1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;sulfane
CID 137247534
1-[4-[6-chloro-8-fluoro-7-(2-methoxy-6-methylphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 118018865
lithium;6-chloro-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazoline;2-[6-chloro-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-8-fluoroquinazolin-7-yl]-3-fluorophenol;[2-[6-chloro-4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-8-fluoroquinazolin-7-yl]-3-fluorophenyl] prop-2-enoate;1-[(2S,6R)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]-2,6-dimethylpiperazin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride;tribromoborane;hydroxide
CID 157251669
tert-butyl 4-[7-(3-amino-8-fluoroisoquinolin-1-yl)-6-chloro-8-fluoroquinazolin-4-yl]piperazine-1-carboxylate
CID 146625067
tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(3-fluoro-2-pyridinyl)methoxymethyl]quinazolin-4-yl]piperazine-1-carboxylate
CID 137082440
2-[4-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-6-chloro-8-fluoroquinazolin-7-yl]-3-fluorophenol
CID 137218457

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)quinazoline;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-[6-chloro-8-fluoro-4-(4-methylsulfonylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenol;(2-fluoro-6-methoxyphenyl)boronic acid;tribromoborane?
The IUPAC name of tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)quinazoline;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-[6-chloro-8-fluoro-4-(4-methylsulfonylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenol;(2-fluoro-6-methoxyphenyl)boronic acid;tribromoborane (CID 158565856) is tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)quinazoline;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-[6-chloro-8-fluoro-4-(4-methylsulfonylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenol;(2-fluoro-6-methoxyphenyl)boronic acid;tribromoborane.
What is the SMILES notation for tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)quinazoline;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-[6-chloro-8-fluoro-4-(4-methylsulfonylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenol;(2-fluoro-6-methoxyphenyl)boronic acid;tribromoborane?
The canonical SMILES for tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)quinazoline;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-[6-chloro-8-fluoro-4-(4-methylsulfonylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenol;(2-fluoro-6-methoxyphenyl)boronic acid;tribromoborane is BrB(Br)Br.CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)c(Br)c(Cl)cc23)CC1.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCCCC3)ncnc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(S(C)(=O)=O)CC3)ncnc2c1F.COc1cccc(F)c1B(O)O.CS(=O)(=O)N1CCN(c2ncnc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.
What is the InChIKey of tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)quinazoline;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-[6-chloro-8-fluoro-4-(4-methylsulfonylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenol;(2-fluoro-6-methoxyphenyl)boronic acid;tribromoborane?
The InChIKey is HRLRSKFJVQWYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF2N4O3.C20H19ClF2N4O3S.C20H18ClF2N3O.C19H17ClF2N4O3S.C17H19BrClFN4O2.C7H8BFO3.BBr3/c1-24(2,3)34-23(32)31-10-8-30(9-11-31)22-14-12-15(25)18(20(27)21(14)28-13-29-22)19-16(26)6-5-7-17(19)33-4;1-30-15-5-3-4-14(22)17(15)16-13(21)10-12-19(18(16)23)24-11-25-20(12)26-6-8-27(9-7-26)31(2,28)29;1-27-15-7-5-6-14(22)17(15)16-13(21)10-12-19(18(16)23)24-11-25-20(12)26-8-3-2-4-9-26;1-30(28,29)26-7-5-25(6-8-26)19-11-9-12(20)15(17(22)18(11)23-10-24-19)16-13(21)3-2-4-14(16)27;1-17(2,3)26-16(25)24-6-4-23(5-7-24)15-10-8-11(19)12(18)13(20)14(10)21-9-22-15;1-12-6-4-2-3-5(9)7(6)8(10)11;2-1(3)4/h5-7,12-13H,8-11H2,1-4H3;3-5,10-11H,6-9H2,1-2H3;5-7,10-11H,2-4,8-9H2,1H3;2-4,9-10,27H,5-8H2,1H3;8-9H,4-7H2,1-3H3;2-4,10-11H,1H3;.
What are the key properties of tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)quinazoline;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-[6-chloro-8-fluoro-4-(4-methylsulfonylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenol;(2-fluoro-6-methoxyphenyl)boronic acid;tribromoborane?
tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)quinazoline;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-[6-chloro-8-fluoro-4-(4-methylsulfonylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenol;(2-fluoro-6-methoxyphenyl)boronic acid;tribromoborane has a molecular weight of 2670.76 g/mol, XLogP of 22.77, 16 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-(4-methylsulfonylpiperazin-1-yl)quinazoline;6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;2-[6-chloro-8-fluoro-4-(4-methylsulfonylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenol;(2-fluoro-6-methoxyphenyl)boronic acid;tribromoborane is sourced from PubChem (CID 158565856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).