4-bromobenzene-1,2-diamine;6-bromo-2,3-dichloroquinoxaline;6-bromo-1,4-dihydroquinoline-2,3-dione;bromomethane;tert-butyl 4-(7-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(3-chloroquinoxalin-2-yl)methanamine;4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;phosphoryl trichloride

C100H123Br7Cl7N28O15P — CID 159898791

IUPAC4-bromobenzene-1,2-diamine;6-bromo-2,3-dichloroquinoxaline;6-bromo-1,4-dihydroquinoline-2,3-dione;bromomethane;tert-butyl 4-(7-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(3-chloroquinoxalin-2-yl)methanamine;4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;phosphoryl trichloride
SMILESCBr.CBr.CC(C)(C)OC(=O)N1CCN(c2nc3cc(Br)ccc3n3cnnc23)CC1.CC(C)(C)OC(=O)N1CCN(c2nc3ccc(Br)cc3n3cnnc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCOC(=O)C(C)=O.CCOC(OCC)OCC.Clc1nc2ccc(Br)cc2nc1Cl.Clc1nc2ccccc2n2cnnc12.NCc1nc2ccccc2nc1Cl.NN.Nc1ccc(Br)cc1N.O=C1Cc2cc(Br)ccc2NC1=O.O=P(Cl)(Cl)Cl
InChIInChI=1S/2C18H21BrN6O2.C9H6BrNO2.C9H5ClN4.C9H8ClN3.C9H18N2O2.C8H3BrCl2N2.C7H16O3.C6H7BrN2.C5H8O3.2CH3Br.Cl3OP.H4N2/c1-18(2,3)27-17(26)24-8-6-23(7-9-24)15-16-22-20-11-25(16)14-5-4-12(19)10-13(14)21-15;1-18(2,3)27-17(26)24-8-6-23(7-9-24)15-16-22-20-11-25(16)14-10-12(19)4-5-13(14)21-15;10-6-1-2-7-5(3-6)4-8(12)9(13)11-7;10-8-9-13-11-5-14(9)7-4-2-1-3-6(7)12-8;10-9-8(5-11)12-6-3-1-2-4-7(6)13-9;1-9(2,3)13-8(12)11-6-4-10-5-7-11;9-4-1-2-5-6(3-4)13-8(11)7(10)12-5;1-4-8-7(9-5-2)10-6-3;7-4-1-2-5(8)6(9)3-4;1-3-8-5(7)4(2)6;2*1-2;1-5(2,3)4;1-2/h2*4-5,10-11H,6-9H2,1-3H3;1-3H,4H2,(H,11,13);1-5H;1-4H,5,11H2;10H,4-7H2,1-3H3;1-3H;7H,4-6H2,1-3H3;1-3H,8-9H2;3H2,1-2H3;2*1H3;;1-2H2
InChIKeyNVRLCRUJQPRIAT-UHFFFAOYSA-N
MW2795.74 g/mol
LogP22.69
Rot. Bonds11

About 4-bromobenzene-1,2-diamine;6-bromo-2,3-dichloroquinoxaline;6-bromo-1,4-dihydroquinoline-2,3-dione;bromomethane;tert-butyl 4-(7-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(3-chloroquinoxalin-2-yl)methanamine;4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;phosphoryl trichloride

4-bromobenzene-1,2-diamine;6-bromo-2,3-dichloroquinoxaline;6-bromo-1,4-dihydroquinoline-2,3-dione;bromomethane;tert-butyl 4-(7-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(3-chloroquinoxalin-2-yl)methanamine;4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;phosphoryl trichloride (PubChem CID 159898791) has the molecular formula C100H123Br7Cl7N28O15P and a molecular weight of 2795.74 g/mol. Its IUPAC name is 4-bromobenzene-1,2-diamine;6-bromo-2,3-dichloroquinoxaline;6-bromo-1,4-dihydroquinoline-2,3-dione;bromomethane;tert-butyl 4-(7-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(3-chloroquinoxalin-2-yl)methanamine;4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;phosphoryl trichloride.

Molecular Properties

Compound Name4-bromobenzene-1,2-diamine;6-bromo-2,3-dichloroquinoxaline;6-bromo-1,4-dihydroquinoline-2,3-dione;bromomethane;tert-butyl 4-(7-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(3-chloroquinoxalin-2-yl)methanamine;4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;phosphoryl trichloride
PubChem CID159898791
Molecular FormulaC100H123Br7Cl7N28O15P
Molecular Weight2795.74 g/mol
Exact Mass2784.16
IUPAC Name4-bromobenzene-1,2-diamine;6-bromo-2,3-dichloroquinoxaline;6-bromo-1,4-dihydroquinoline-2,3-dione;bromomethane;tert-butyl 4-(7-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(3-chloroquinoxalin-2-yl)methanamine;4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;phosphoryl trichloride
SMILESCBr.CBr.CC(C)(C)OC(=O)N1CCN(c2nc3cc(Br)ccc3n3cnnc23)CC1.CC(C)(C)OC(=O)N1CCN(c2nc3ccc(Br)cc3n3cnnc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCOC(=O)C(C)=O.CCOC(OCC)OCC.Clc1nc2ccc(Br)cc2nc1Cl.Clc1nc2ccccc2n2cnnc12.NCc1nc2ccccc2nc1Cl.NN.Nc1ccc(Br)cc1N.O=C1Cc2cc(Br)ccc2NC1=O.O=P(Cl)(Cl)Cl
InChIInChI=1S/2C18H21BrN6O2.C9H6BrNO2.C9H5ClN4.C9H8ClN3.C9H18N2O2.C8H3BrCl2N2.C7H16O3.C6H7BrN2.C5H8O3.2CH3Br.Cl3OP.H4N2/c1-18(2,3)27-17(26)24-8-6-23(7-9-24)15-16-22-20-11-25(16)14-5-4-12(19)10-13(14)21-15;1-18(2,3)27-17(26)24-8-6-23(7-9-24)15-16-22-20-11-25(16)14-10-12(19)4-5-13(14)21-15;10-6-1-2-7-5(3-6)4-8(12)9(13)11-7;10-8-9-13-11-5-14(9)7-4-2-1-3-6(7)12-8;10-9-8(5-11)12-6-3-1-2-4-7(6)13-9;1-9(2,3)13-8(12)11-6-4-10-5-7-11;9-4-1-2-5-6(3-4)13-8(11)7(10)12-5;1-4-8-7(9-5-2)10-6-3;7-4-1-2-5(8)6(9)3-4;1-3-8-5(7)4(2)6;2*1-2;1-5(2,3)4;1-2/h2*4-5,10-11H,6-9H2,1-3H3;1-3H,4H2,(H,11,13);1-5H;1-4H,5,11H2;10H,4-7H2,1-3H3;1-3H;7H,4-6H2,1-3H3;1-3H,8-9H2;3H2,1-2H3;2*1H3;;1-2H2
InChIKeyNVRLCRUJQPRIAT-UHFFFAOYSA-N
XLogP22.69
TPSA552.33 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds11
Heavy Atoms158
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002795.74
LogP ≤ 522.69
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-bromobenzene-1,2-diamine;6-bromo-2,3-dichloroquinoxaline;6-bromo-1,4-dihydroquinoline-2,3-dione;bromomethane;tert-butyl 4-(7-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(3-chloroquinoxalin-2-yl)methanamine;4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;phosphoryl trichloride with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-bromobenzene-1,2-diamine;6-bromo-2,3-dichloroquinoxaline;6-bromo-1,4-dihydroquinoline-2,3-dione;bromomethane;tert-butyl 4-(7-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(3-chloroquinoxalin-2-yl)methanamine;4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;phosphoryl trichloride?
The IUPAC name of 4-bromobenzene-1,2-diamine;6-bromo-2,3-dichloroquinoxaline;6-bromo-1,4-dihydroquinoline-2,3-dione;bromomethane;tert-butyl 4-(7-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(3-chloroquinoxalin-2-yl)methanamine;4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;phosphoryl trichloride (CID 159898791) is 4-bromobenzene-1,2-diamine;6-bromo-2,3-dichloroquinoxaline;6-bromo-1,4-dihydroquinoline-2,3-dione;bromomethane;tert-butyl 4-(7-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(3-chloroquinoxalin-2-yl)methanamine;4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;phosphoryl trichloride.
What is the SMILES notation for 4-bromobenzene-1,2-diamine;6-bromo-2,3-dichloroquinoxaline;6-bromo-1,4-dihydroquinoline-2,3-dione;bromomethane;tert-butyl 4-(7-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(3-chloroquinoxalin-2-yl)methanamine;4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;phosphoryl trichloride?
The canonical SMILES for 4-bromobenzene-1,2-diamine;6-bromo-2,3-dichloroquinoxaline;6-bromo-1,4-dihydroquinoline-2,3-dione;bromomethane;tert-butyl 4-(7-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(3-chloroquinoxalin-2-yl)methanamine;4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;phosphoryl trichloride is CBr.CBr.CC(C)(C)OC(=O)N1CCN(c2nc3cc(Br)ccc3n3cnnc23)CC1.CC(C)(C)OC(=O)N1CCN(c2nc3ccc(Br)cc3n3cnnc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCOC(=O)C(C)=O.CCOC(OCC)OCC.Clc1nc2ccc(Br)cc2nc1Cl.Clc1nc2ccccc2n2cnnc12.NCc1nc2ccccc2nc1Cl.NN.Nc1ccc(Br)cc1N.O=C1Cc2cc(Br)ccc2NC1=O.O=P(Cl)(Cl)Cl.
What is the InChIKey of 4-bromobenzene-1,2-diamine;6-bromo-2,3-dichloroquinoxaline;6-bromo-1,4-dihydroquinoline-2,3-dione;bromomethane;tert-butyl 4-(7-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(3-chloroquinoxalin-2-yl)methanamine;4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;phosphoryl trichloride?
The InChIKey is NVRLCRUJQPRIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H21BrN6O2.C9H6BrNO2.C9H5ClN4.C9H8ClN3.C9H18N2O2.C8H3BrCl2N2.C7H16O3.C6H7BrN2.C5H8O3.2CH3Br.Cl3OP.H4N2/c1-18(2,3)27-17(26)24-8-6-23(7-9-24)15-16-22-20-11-25(16)14-5-4-12(19)10-13(14)21-15;1-18(2,3)27-17(26)24-8-6-23(7-9-24)15-16-22-20-11-25(16)14-10-12(19)4-5-13(14)21-15;10-6-1-2-7-5(3-6)4-8(12)9(13)11-7;10-8-9-13-11-5-14(9)7-4-2-1-3-6(7)12-8;10-9-8(5-11)12-6-3-1-2-4-7(6)13-9;1-9(2,3)13-8(12)11-6-4-10-5-7-11;9-4-1-2-5-6(3-4)13-8(11)7(10)12-5;1-4-8-7(9-5-2)10-6-3;7-4-1-2-5(8)6(9)3-4;1-3-8-5(7)4(2)6;2*1-2;1-5(2,3)4;1-2/h2*4-5,10-11H,6-9H2,1-3H3;1-3H,4H2,(H,11,13);1-5H;1-4H,5,11H2;10H,4-7H2,1-3H3;1-3H;7H,4-6H2,1-3H3;1-3H,8-9H2;3H2,1-2H3;2*1H3;;1-2H2.
What are the key properties of 4-bromobenzene-1,2-diamine;6-bromo-2,3-dichloroquinoxaline;6-bromo-1,4-dihydroquinoline-2,3-dione;bromomethane;tert-butyl 4-(7-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(3-chloroquinoxalin-2-yl)methanamine;4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;phosphoryl trichloride?
4-bromobenzene-1,2-diamine;6-bromo-2,3-dichloroquinoxaline;6-bromo-1,4-dihydroquinoline-2,3-dione;bromomethane;tert-butyl 4-(7-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(3-chloroquinoxalin-2-yl)methanamine;4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;phosphoryl trichloride has a molecular weight of 2795.74 g/mol, XLogP of 22.69, 11 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzene-1,2-diamine;6-bromo-2,3-dichloroquinoxaline;6-bromo-1,4-dihydroquinoline-2,3-dione;bromomethane;tert-butyl 4-(7-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-bromo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(3-chloroquinoxalin-2-yl)methanamine;4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline;diethoxymethoxyethane;ethyl 2-oxopropanoate;hydrazine;phosphoryl trichloride is sourced from PubChem (CID 159898791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).