4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;methane;hydrochloride

C140H171BBr4Cl11N27O23 — CID 158017790

IUPAC4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;methane;hydrochloride
SMILESC.C.CCOCC.COC(=O)C1CN(c2nc(C)nc3cc(Cl)c(Br)cc23)CCN1C(=O)OC(C)(C)C.COC(=O)C1CNCCN1C(=O)OC(C)(C)C.Cc1nc(Cl)c2cc(Br)c(Cl)cc2n1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C#N)C2)c2cc(-c3ccc(Cl)cc3)c(Cl)cc2n1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C(=O)O)C2)c2cc(Br)c(Cl)cc2n1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C(N)=O)C2)c2cc(-c3ccc(Cl)cc3)c(Cl)cc2n1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C(N)=O)C2)c2cc(Br)c(Cl)cc2n1.Cl.OB(O)c1ccc(Cl)cc1
InChIInChI=1S/C25H27Cl2N5O3.C25H25Cl2N5O2.C20H24BrClN4O4.C19H23BrClN5O3.C19H22BrClN4O4.C11H20N2O4.C9H5BrCl2N2.C6H6BClO2.C4H10O.2CH4.ClH/c1-14-29-20-12-19(27)17(15-5-7-16(26)8-6-15)11-18(20)23(30-14)31-9-10-32(21(13-31)22(28)33)24(34)35-25(2,3)4;1-15-29-22-12-21(27)19(16-5-7-17(26)8-6-16)11-20(22)23(30-15)31-9-10-32(18(13-28)14-31)24(33)34-25(2,3)4;1-11-23-15-9-14(22)13(21)8-12(15)17(24-11)25-6-7-26(16(10-25)18(27)29-5)19(28)30-20(2,3)4;1-10-23-14-8-13(21)12(20)7-11(14)17(24-10)25-5-6-26(15(9-25)16(22)27)18(28)29-19(2,3)4;1-10-22-14-8-13(21)12(20)7-11(14)16(23-10)24-5-6-25(15(9-24)17(26)27)18(28)29-19(2,3)4;1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4;1-4-13-8-3-7(11)6(10)2-5(8)9(12)14-4;8-6-3-1-5(2-4-6)7(9)10;1-3-5-4-2;;;/h5-8,11-12,21H,9-10,13H2,1-4H3,(H2,28,33);5-8,11-12,18H,9-10,14H2,1-4H3;8-9,16H,6-7,10H2,1-5H3;7-8,15H,5-6,9H2,1-4H3,(H2,22,27);7-8,15H,5-6,9H2,1-4H3,(H,26,27);8,12H,5-7H2,1-4H3;2-3H,1H3;1-4,9-10H;3-4H2,1-2H3;2*1H4;1H
InChIKeyBXTJEKRWJXWYMH-UHFFFAOYSA-N
MW3320.48 g/mol
LogP28.90
Rot. Bonds15

About 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;methane;hydrochloride

4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;methane;hydrochloride (PubChem CID 158017790) has the molecular formula C140H171BBr4Cl11N27O23 and a molecular weight of 3320.48 g/mol. Its IUPAC name is 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;methane;hydrochloride.

Molecular Properties

Compound Name4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;methane;hydrochloride
PubChem CID158017790
Molecular FormulaC140H171BBr4Cl11N27O23
Molecular Weight3320.48 g/mol
Exact Mass3309.64
IUPAC Name4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;methane;hydrochloride
SMILESC.C.CCOCC.COC(=O)C1CN(c2nc(C)nc3cc(Cl)c(Br)cc23)CCN1C(=O)OC(C)(C)C.COC(=O)C1CNCCN1C(=O)OC(C)(C)C.Cc1nc(Cl)c2cc(Br)c(Cl)cc2n1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C#N)C2)c2cc(-c3ccc(Cl)cc3)c(Cl)cc2n1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C(=O)O)C2)c2cc(Br)c(Cl)cc2n1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C(N)=O)C2)c2cc(-c3ccc(Cl)cc3)c(Cl)cc2n1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C(N)=O)C2)c2cc(Br)c(Cl)cc2n1.Cl.OB(O)c1ccc(Cl)cc1
InChIInChI=1S/C25H27Cl2N5O3.C25H25Cl2N5O2.C20H24BrClN4O4.C19H23BrClN5O3.C19H22BrClN4O4.C11H20N2O4.C9H5BrCl2N2.C6H6BClO2.C4H10O.2CH4.ClH/c1-14-29-20-12-19(27)17(15-5-7-16(26)8-6-15)11-18(20)23(30-14)31-9-10-32(21(13-31)22(28)33)24(34)35-25(2,3)4;1-15-29-22-12-21(27)19(16-5-7-17(26)8-6-16)11-20(22)23(30-15)31-9-10-32(18(13-28)14-31)24(33)34-25(2,3)4;1-11-23-15-9-14(22)13(21)8-12(15)17(24-11)25-6-7-26(16(10-25)18(27)29-5)19(28)30-20(2,3)4;1-10-23-14-8-13(21)12(20)7-11(14)17(24-10)25-5-6-26(15(9-25)16(22)27)18(28)29-19(2,3)4;1-10-22-14-8-13(21)12(20)7-11(14)16(23-10)24-5-6-25(15(9-24)17(26)27)18(28)29-19(2,3)4;1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4;1-4-13-8-3-7(11)6(10)2-5(8)9(12)14-4;8-6-3-1-5(2-4-6)7(9)10;1-3-5-4-2;;;/h5-8,11-12,21H,9-10,13H2,1-4H3,(H2,28,33);5-8,11-12,18H,9-10,14H2,1-4H3;8-9,16H,6-7,10H2,1-5H3;7-8,15H,5-6,9H2,1-4H3,(H2,22,27);7-8,15H,5-6,9H2,1-4H3,(H,26,27);8,12H,5-7H2,1-4H3;2-3H,1H3;1-4,9-10H;3-4H2,1-2H3;2*1H4;1H
InChIKeyBXTJEKRWJXWYMH-UHFFFAOYSA-N
XLogP28.90
TPSA609.71 Ų
H-Bond Donors6
H-Bond Acceptors41
Rotatable Bonds15
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003320.48
LogP ≤ 528.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;methane;hydrochloride with MolForge

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Related Compounds

4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;hydrochloride
CID 157129171
Tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyclopropylquinazolin-4-yl)piperazine-1-carboxylate;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carbonitrile;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carboxamide;methane;methylcyclopropane;prop-2-enoyl chloride
CID 157794136
lithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;deuterio(fluoro)methane;hydroxide;hydrate
CID 157917955
Tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyclopropylquinazolin-4-yl)piperazine-1-carboxylate;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carbonitrile;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carboxamide;methylcyclopropane;prop-2-enoyl chloride
CID 158207156
Tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyclopropylquinazolin-4-yl)piperazine-1-carboxylate;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carbonitrile;4-(7-chloro-6-cyclopropylquinazolin-4-yl)-1-prop-2-enoylpiperazine-2-carboxamide;methane;methylcyclopropane;prop-2-enoyl chloride
CID 159027063
lithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-isocyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;1-(7-chloro-6-isocyanoquinazolin-4-yl)piperidine-3-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate
CID 159365032
acetonitrile;6-bromo-4-(4-bromopiperazin-1-yl)-7-chloro-2-methylquinazoline;6-bromo-7-chloro-2-methyl-3H-quinazolin-4-one;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(4-chlorophenyl)boronic acid;methyl 2-amino-5-bromo-4-chlorobenzoate;prop-2-enoyl chloride;thionyl dichloride
CID 159954066
4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid
CID 160614247
6-bromo-7-chloro-3H-quinazolin-4-one;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;7-chloro-6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline;7-chloro-6-(4-chlorophenyl)-3H-quinazolin-4-one;1-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one;(4-chlorophenyl)boronic acid;4,7-dichloro-6-(4-chlorophenyl)quinazoline;methane;methanol;propanoyl chloride;thionyl dichloride;hydrochloride
CID 161074531
acetonitrile;6-bromo-7-chloro-2-methyl-3H-quinazolin-4-one;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(4-chlorophenyl)boronic acid;methyl 2-amino-5-bromo-4-chlorobenzoate;prop-2-enoyl chloride;thionyl dichloride
CID 162107353
lithium;4-(6-bromo-7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloroquinazoline;tert-butyl 4-(6-bromo-7-chloroquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloroquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;4-(7-chloro-6-cyanoquinazolin-4-yl)piperazine-2-carboxamide;deuterio(fluoro)methane;prop-2-enoyl chloride;hydroxide;hydrate
CID 167553196

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;methane;hydrochloride?
The IUPAC name of 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;methane;hydrochloride (CID 158017790) is 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;methane;hydrochloride.
What is the SMILES notation for 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;methane;hydrochloride?
The canonical SMILES for 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;methane;hydrochloride is C.C.CCOCC.COC(=O)C1CN(c2nc(C)nc3cc(Cl)c(Br)cc23)CCN1C(=O)OC(C)(C)C.COC(=O)C1CNCCN1C(=O)OC(C)(C)C.Cc1nc(Cl)c2cc(Br)c(Cl)cc2n1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C#N)C2)c2cc(-c3ccc(Cl)cc3)c(Cl)cc2n1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C(=O)O)C2)c2cc(Br)c(Cl)cc2n1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C(N)=O)C2)c2cc(-c3ccc(Cl)cc3)c(Cl)cc2n1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C(N)=O)C2)c2cc(Br)c(Cl)cc2n1.Cl.OB(O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;methane;hydrochloride?
The InChIKey is BXTJEKRWJXWYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N5O3.C25H25Cl2N5O2.C20H24BrClN4O4.C19H23BrClN5O3.C19H22BrClN4O4.C11H20N2O4.C9H5BrCl2N2.C6H6BClO2.C4H10O.2CH4.ClH/c1-14-29-20-12-19(27)17(15-5-7-16(26)8-6-15)11-18(20)23(30-14)31-9-10-32(21(13-31)22(28)33)24(34)35-25(2,3)4;1-15-29-22-12-21(27)19(16-5-7-17(26)8-6-16)11-20(22)23(30-15)31-9-10-32(18(13-28)14-31)24(33)34-25(2,3)4;1-11-23-15-9-14(22)13(21)8-12(15)17(24-11)25-6-7-26(16(10-25)18(27)29-5)19(28)30-20(2,3)4;1-10-23-14-8-13(21)12(20)7-11(14)17(24-10)25-5-6-26(15(9-25)16(22)27)18(28)29-19(2,3)4;1-10-22-14-8-13(21)12(20)7-11(14)16(23-10)24-5-6-25(15(9-24)17(26)27)18(28)29-19(2,3)4;1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4;1-4-13-8-3-7(11)6(10)2-5(8)9(12)14-4;8-6-3-1-5(2-4-6)7(9)10;1-3-5-4-2;;;/h5-8,11-12,21H,9-10,13H2,1-4H3,(H2,28,33);5-8,11-12,18H,9-10,14H2,1-4H3;8-9,16H,6-7,10H2,1-5H3;7-8,15H,5-6,9H2,1-4H3,(H2,22,27);7-8,15H,5-6,9H2,1-4H3,(H,26,27);8,12H,5-7H2,1-4H3;2-3H,1H3;1-4,9-10H;3-4H2,1-2H3;2*1H4;1H.
What are the key properties of 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;methane;hydrochloride?
4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;methane;hydrochloride has a molecular weight of 3320.48 g/mol, XLogP of 28.90, 15 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;6-bromo-4,7-dichloro-2-methylquinazoline;tert-butyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)-2-carbamoylpiperazine-1-carboxylate;tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methylquinazolin-4-yl]-2-cyanopiperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(6-bromo-7-chloro-2-methylquinazolin-4-yl)piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;(4-chlorophenyl)boronic acid;ethoxyethane;methane;hydrochloride is sourced from PubChem (CID 158017790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).