5-bromo-7-tert-butylquinoxaline;3-tert-butylcinnoline;6-tert-butyl-2,3-dimethylquinoxaline;4-tert-butyl-8-fluoroquinazoline;6-tert-butyl-7-fluoroquinoxaline;5-tert-butyl-2-methylquinoxaline;6-tert-butyl-2-methylquinoxaline;6-tert-butyl-7-methylquinoxaline;8-tert-butyl-2-methylquinoxaline;4-tert-butylquinazoline;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;2-tert-butylquinoxaline;6-tert-butylquinoxaline

C186H219BrF2N30 — CID 161059007

IUPAC5-bromo-7-tert-butylquinoxaline;3-tert-butylcinnoline;6-tert-butyl-2,3-dimethylquinoxaline;4-tert-butyl-8-fluoroquinazoline;6-tert-butyl-7-fluoroquinoxaline;5-tert-butyl-2-methylquinoxaline;6-tert-butyl-2-methylquinoxaline;6-tert-butyl-7-methylquinoxaline;8-tert-butyl-2-methylquinoxaline;4-tert-butylquinazoline;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;2-tert-butylquinoxaline;6-tert-butylquinoxaline
SMILESCC(C)(C)c1cc(Br)c2nccnc2c1.CC(C)(C)c1cc2ccccc2nn1.CC(C)(C)c1cc2nccnc2cc1F.CC(C)(C)c1ccc2cncnc2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2ncncc2c1.CC(C)(C)c1cccc2ncncc12.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1ncnc2c(F)cccc12.CC(C)(C)c1ncnc2ccccc12.Cc1cc2nccnc2cc1C(C)(C)C.Cc1cnc2c(C(C)(C)C)cccc2n1.Cc1cnc2cc(C(C)(C)C)ccc2n1.Cc1cnc2cccc(C(C)(C)C)c2n1.Cc1nc2ccc(C(C)(C)C)cc2nc1C
InChIInChI=1S/C14H18N2.4C13H16N2.C12H13BrN2.2C12H13FN2.7C12H14N2/c1-9-10(2)16-13-8-11(14(3,4)5)6-7-12(13)15-9;1-9-8-14-12-7-10(13(2,3)4)5-6-11(12)15-9;1-9-7-11-12(15-6-5-14-11)8-10(9)13(2,3)4;1-9-8-14-12-10(13(2,3)4)6-5-7-11(12)15-9;1-9-8-14-11-7-5-6-10(12(11)15-9)13(2,3)4;1-12(2,3)8-6-9(13)11-10(7-8)14-4-5-15-11;1-12(2,3)8-6-10-11(7-9(8)13)15-5-4-14-10;1-12(2,3)11-8-5-4-6-9(13)10(8)14-7-15-11;1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11;1-12(2,3)10-5-4-9-7-13-8-14-11(9)6-10;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-5-4-6-11-9(10)7-13-8-14-11;1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-14-11/h6-8H,1-5H3;4*5-8H,1-4H3;3*4-7H,1-3H3;7*4-8H,1-3H3
InChIKeyUDDKPHLYXUSKQM-UHFFFAOYSA-N
MW2992.91 g/mol
LogP46.80
Rot. Bonds

About 5-bromo-7-tert-butylquinoxaline;3-tert-butylcinnoline;6-tert-butyl-2,3-dimethylquinoxaline;4-tert-butyl-8-fluoroquinazoline;6-tert-butyl-7-fluoroquinoxaline;5-tert-butyl-2-methylquinoxaline;6-tert-butyl-2-methylquinoxaline;6-tert-butyl-7-methylquinoxaline;8-tert-butyl-2-methylquinoxaline;4-tert-butylquinazoline;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;2-tert-butylquinoxaline;6-tert-butylquinoxaline

5-bromo-7-tert-butylquinoxaline;3-tert-butylcinnoline;6-tert-butyl-2,3-dimethylquinoxaline;4-tert-butyl-8-fluoroquinazoline;6-tert-butyl-7-fluoroquinoxaline;5-tert-butyl-2-methylquinoxaline;6-tert-butyl-2-methylquinoxaline;6-tert-butyl-7-methylquinoxaline;8-tert-butyl-2-methylquinoxaline;4-tert-butylquinazoline;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;2-tert-butylquinoxaline;6-tert-butylquinoxaline (PubChem CID 161059007) has the molecular formula C186H219BrF2N30 and a molecular weight of 2992.91 g/mol. Its IUPAC name is 5-bromo-7-tert-butylquinoxaline;3-tert-butylcinnoline;6-tert-butyl-2,3-dimethylquinoxaline;4-tert-butyl-8-fluoroquinazoline;6-tert-butyl-7-fluoroquinoxaline;5-tert-butyl-2-methylquinoxaline;6-tert-butyl-2-methylquinoxaline;6-tert-butyl-7-methylquinoxaline;8-tert-butyl-2-methylquinoxaline;4-tert-butylquinazoline;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;2-tert-butylquinoxaline;6-tert-butylquinoxaline.

Molecular Properties

Compound Name5-bromo-7-tert-butylquinoxaline;3-tert-butylcinnoline;6-tert-butyl-2,3-dimethylquinoxaline;4-tert-butyl-8-fluoroquinazoline;6-tert-butyl-7-fluoroquinoxaline;5-tert-butyl-2-methylquinoxaline;6-tert-butyl-2-methylquinoxaline;6-tert-butyl-7-methylquinoxaline;8-tert-butyl-2-methylquinoxaline;4-tert-butylquinazoline;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;2-tert-butylquinoxaline;6-tert-butylquinoxaline
PubChem CID161059007
Molecular FormulaC186H219BrF2N30
Molecular Weight2992.91 g/mol
Exact Mass2989.72
IUPAC Name5-bromo-7-tert-butylquinoxaline;3-tert-butylcinnoline;6-tert-butyl-2,3-dimethylquinoxaline;4-tert-butyl-8-fluoroquinazoline;6-tert-butyl-7-fluoroquinoxaline;5-tert-butyl-2-methylquinoxaline;6-tert-butyl-2-methylquinoxaline;6-tert-butyl-7-methylquinoxaline;8-tert-butyl-2-methylquinoxaline;4-tert-butylquinazoline;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;2-tert-butylquinoxaline;6-tert-butylquinoxaline
SMILESCC(C)(C)c1cc(Br)c2nccnc2c1.CC(C)(C)c1cc2ccccc2nn1.CC(C)(C)c1cc2nccnc2cc1F.CC(C)(C)c1ccc2cncnc2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2ncncc2c1.CC(C)(C)c1cccc2ncncc12.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1ncnc2c(F)cccc12.CC(C)(C)c1ncnc2ccccc12.Cc1cc2nccnc2cc1C(C)(C)C.Cc1cnc2c(C(C)(C)C)cccc2n1.Cc1cnc2cc(C(C)(C)C)ccc2n1.Cc1cnc2cccc(C(C)(C)C)c2n1.Cc1nc2ccc(C(C)(C)C)cc2nc1C
InChIInChI=1S/C14H18N2.4C13H16N2.C12H13BrN2.2C12H13FN2.7C12H14N2/c1-9-10(2)16-13-8-11(14(3,4)5)6-7-12(13)15-9;1-9-8-14-12-7-10(13(2,3)4)5-6-11(12)15-9;1-9-7-11-12(15-6-5-14-11)8-10(9)13(2,3)4;1-9-8-14-12-10(13(2,3)4)6-5-7-11(12)15-9;1-9-8-14-11-7-5-6-10(12(11)15-9)13(2,3)4;1-12(2,3)8-6-9(13)11-10(7-8)14-4-5-15-11;1-12(2,3)8-6-10-11(7-9(8)13)15-5-4-14-10;1-12(2,3)11-8-5-4-6-9(13)10(8)14-7-15-11;1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11;1-12(2,3)10-5-4-9-7-13-8-14-11(9)6-10;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-5-4-6-11-9(10)7-13-8-14-11;1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-14-11/h6-8H,1-5H3;4*5-8H,1-4H3;3*4-7H,1-3H3;7*4-8H,1-3H3
InChIKeyUDDKPHLYXUSKQM-UHFFFAOYSA-N
XLogP46.80
TPSA386.70 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002992.91
LogP ≤ 546.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 5-bromo-7-tert-butylquinoxaline;3-tert-butylcinnoline;6-tert-butyl-2,3-dimethylquinoxaline;4-tert-butyl-8-fluoroquinazoline;6-tert-butyl-7-fluoroquinoxaline;5-tert-butyl-2-methylquinoxaline;6-tert-butyl-2-methylquinoxaline;6-tert-butyl-7-methylquinoxaline;8-tert-butyl-2-methylquinoxaline;4-tert-butylquinazoline;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;2-tert-butylquinoxaline;6-tert-butylquinoxaline with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline
CID 167585846
4-tert-butyl-8-fluoroquinoline;1-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;8-tert-butylquinoline;5-tert-butylquinoxaline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline
CID 167610785
6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 157191671
6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 158095111
tert-butylbenzene;4-tert-butyl-1,2,3-benzotriazine;4-tert-butylcinnoline;7-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butylisoquinoline;6-tert-butylisoquinoline;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,6-naphthyridine;6-tert-butyl-7H-purine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;6-tert-butylquinazoline;6-tert-butyl-3H-quinazolin-4-one;4-tert-butylquinoline;6-tert-butylquinoline;6-tert-butylquinoxaline;ethane
CID 160878091
2,5-ditert-butylquinoline;2,6-ditert-butylquinoline;2,7-ditert-butylquinoline;2,8-ditert-butylquinoline;3,5-ditert-butylquinoline;3,6-ditert-butylquinoline;3,7-ditert-butylquinoline;3,8-ditert-butylquinoline;4,5-ditert-butylquinoline;4,6-ditert-butylquinoline;4,7-ditert-butylquinoline;4,8-ditert-butylquinoline;ethane
CID 162096604
7-tert-butylquinazoline
CID 58717381
2,7-ditert-butylquinoxaline
CID 134411063
3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline
CID 163657036
4-tert-butyl-2,1,3-benzothiadiazole;1-tert-butyl-9H-fluorene;6-tert-butyl-3H-indazole;8-tert-butyl-2-methylquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline
CID 159132605
2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;2,3,4-trimethylquinoline;2,3,5-trimethylquinoline;2,3,6-trimethylquinoline;2,3,7-trimethylquinoline;2,3,8-trimethylquinoline;3,4,5-trimethylquinoline;3,4,6-trimethylquinoline;3,4,7-trimethylquinoline;2,3,5-trimethylquinoxaline;2,3,6-trimethylquinoxaline;2,6,7-trimethylquinoxaline;5,6,7-trimethylquinoxaline;5,6,8-trimethylquinoxaline
CID 161372970
5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;4-tert-butyl-1,8-naphthyridine;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylpyrimidine;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;5-tert-butylquinoxaline;5-tert-butyl-1,2-thiazole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;3-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;3-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 161395341

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-tert-butylquinoxaline;3-tert-butylcinnoline;6-tert-butyl-2,3-dimethylquinoxaline;4-tert-butyl-8-fluoroquinazoline;6-tert-butyl-7-fluoroquinoxaline;5-tert-butyl-2-methylquinoxaline;6-tert-butyl-2-methylquinoxaline;6-tert-butyl-7-methylquinoxaline;8-tert-butyl-2-methylquinoxaline;4-tert-butylquinazoline;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;2-tert-butylquinoxaline;6-tert-butylquinoxaline?
The IUPAC name of 5-bromo-7-tert-butylquinoxaline;3-tert-butylcinnoline;6-tert-butyl-2,3-dimethylquinoxaline;4-tert-butyl-8-fluoroquinazoline;6-tert-butyl-7-fluoroquinoxaline;5-tert-butyl-2-methylquinoxaline;6-tert-butyl-2-methylquinoxaline;6-tert-butyl-7-methylquinoxaline;8-tert-butyl-2-methylquinoxaline;4-tert-butylquinazoline;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;2-tert-butylquinoxaline;6-tert-butylquinoxaline (CID 161059007) is 5-bromo-7-tert-butylquinoxaline;3-tert-butylcinnoline;6-tert-butyl-2,3-dimethylquinoxaline;4-tert-butyl-8-fluoroquinazoline;6-tert-butyl-7-fluoroquinoxaline;5-tert-butyl-2-methylquinoxaline;6-tert-butyl-2-methylquinoxaline;6-tert-butyl-7-methylquinoxaline;8-tert-butyl-2-methylquinoxaline;4-tert-butylquinazoline;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;2-tert-butylquinoxaline;6-tert-butylquinoxaline.
What is the SMILES notation for 5-bromo-7-tert-butylquinoxaline;3-tert-butylcinnoline;6-tert-butyl-2,3-dimethylquinoxaline;4-tert-butyl-8-fluoroquinazoline;6-tert-butyl-7-fluoroquinoxaline;5-tert-butyl-2-methylquinoxaline;6-tert-butyl-2-methylquinoxaline;6-tert-butyl-7-methylquinoxaline;8-tert-butyl-2-methylquinoxaline;4-tert-butylquinazoline;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;2-tert-butylquinoxaline;6-tert-butylquinoxaline?
The canonical SMILES for 5-bromo-7-tert-butylquinoxaline;3-tert-butylcinnoline;6-tert-butyl-2,3-dimethylquinoxaline;4-tert-butyl-8-fluoroquinazoline;6-tert-butyl-7-fluoroquinoxaline;5-tert-butyl-2-methylquinoxaline;6-tert-butyl-2-methylquinoxaline;6-tert-butyl-7-methylquinoxaline;8-tert-butyl-2-methylquinoxaline;4-tert-butylquinazoline;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;2-tert-butylquinoxaline;6-tert-butylquinoxaline is CC(C)(C)c1cc(Br)c2nccnc2c1.CC(C)(C)c1cc2ccccc2nn1.CC(C)(C)c1cc2nccnc2cc1F.CC(C)(C)c1ccc2cncnc2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2ncncc2c1.CC(C)(C)c1cccc2ncncc12.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1ncnc2c(F)cccc12.CC(C)(C)c1ncnc2ccccc12.Cc1cc2nccnc2cc1C(C)(C)C.Cc1cnc2c(C(C)(C)C)cccc2n1.Cc1cnc2cc(C(C)(C)C)ccc2n1.Cc1cnc2cccc(C(C)(C)C)c2n1.Cc1nc2ccc(C(C)(C)C)cc2nc1C.
What is the InChIKey of 5-bromo-7-tert-butylquinoxaline;3-tert-butylcinnoline;6-tert-butyl-2,3-dimethylquinoxaline;4-tert-butyl-8-fluoroquinazoline;6-tert-butyl-7-fluoroquinoxaline;5-tert-butyl-2-methylquinoxaline;6-tert-butyl-2-methylquinoxaline;6-tert-butyl-7-methylquinoxaline;8-tert-butyl-2-methylquinoxaline;4-tert-butylquinazoline;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;2-tert-butylquinoxaline;6-tert-butylquinoxaline?
The InChIKey is UDDKPHLYXUSKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.4C13H16N2.C12H13BrN2.2C12H13FN2.7C12H14N2/c1-9-10(2)16-13-8-11(14(3,4)5)6-7-12(13)15-9;1-9-8-14-12-7-10(13(2,3)4)5-6-11(12)15-9;1-9-7-11-12(15-6-5-14-11)8-10(9)13(2,3)4;1-9-8-14-12-10(13(2,3)4)6-5-7-11(12)15-9;1-9-8-14-11-7-5-6-10(12(11)15-9)13(2,3)4;1-12(2,3)8-6-9(13)11-10(7-8)14-4-5-15-11;1-12(2,3)8-6-10-11(7-9(8)13)15-5-4-14-10;1-12(2,3)11-8-5-4-6-9(13)10(8)14-7-15-11;1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11;1-12(2,3)10-5-4-9-7-13-8-14-11(9)6-10;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-5-4-6-11-9(10)7-13-8-14-11;1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-14-11/h6-8H,1-5H3;4*5-8H,1-4H3;3*4-7H,1-3H3;7*4-8H,1-3H3.
What are the key properties of 5-bromo-7-tert-butylquinoxaline;3-tert-butylcinnoline;6-tert-butyl-2,3-dimethylquinoxaline;4-tert-butyl-8-fluoroquinazoline;6-tert-butyl-7-fluoroquinoxaline;5-tert-butyl-2-methylquinoxaline;6-tert-butyl-2-methylquinoxaline;6-tert-butyl-7-methylquinoxaline;8-tert-butyl-2-methylquinoxaline;4-tert-butylquinazoline;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;2-tert-butylquinoxaline;6-tert-butylquinoxaline?
5-bromo-7-tert-butylquinoxaline;3-tert-butylcinnoline;6-tert-butyl-2,3-dimethylquinoxaline;4-tert-butyl-8-fluoroquinazoline;6-tert-butyl-7-fluoroquinoxaline;5-tert-butyl-2-methylquinoxaline;6-tert-butyl-2-methylquinoxaline;6-tert-butyl-7-methylquinoxaline;8-tert-butyl-2-methylquinoxaline;4-tert-butylquinazoline;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;2-tert-butylquinoxaline;6-tert-butylquinoxaline has a molecular weight of 2992.91 g/mol, XLogP of 46.80, 0 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-tert-butylquinoxaline;3-tert-butylcinnoline;6-tert-butyl-2,3-dimethylquinoxaline;4-tert-butyl-8-fluoroquinazoline;6-tert-butyl-7-fluoroquinoxaline;5-tert-butyl-2-methylquinoxaline;6-tert-butyl-2-methylquinoxaline;6-tert-butyl-7-methylquinoxaline;8-tert-butyl-2-methylquinoxaline;4-tert-butylquinazoline;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;2-tert-butylquinoxaline;6-tert-butylquinoxaline is sourced from PubChem (CID 161059007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).