6-bromo-2-chloroquinoline;2-chloro-6-(2,7-dimethylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-6-(2,7-dimethylindazol-5-yl)quinoline;2-cyclohexyl-6-(2,7-dimethylindazol-5-yl)quinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoline;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane;1-methylcyclohexene;2,2,2-trifluoroacetaldehyde

C126H141BBrCl2F3N16O3 — CID 167542541

IUPAC6-bromo-2-chloroquinoline;2-chloro-6-(2,7-dimethylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-6-(2,7-dimethylindazol-5-yl)quinoline;2-cyclohexyl-6-(2,7-dimethylindazol-5-yl)quinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoline;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane;1-methylcyclohexene;2,2,2-trifluoroacetaldehyde
SMILESC.C.C.C.CC1=CCCCC1.Cc1cc(-c2ccc3nc(C4=CCCCC4)ccc3c2)cc2cn(C)nc12.Cc1cc(-c2ccc3nc(C4CCCCC4)ccc3c2)cc2cn(C)nc12.Cc1cc(-c2ccc3nc(C4CCNCC4)ccc3c2)cc2cn(C)nc12.Cc1cc(-c2ccc3nc(Cl)ccc3c2)cc2cn(C)nc12.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2cn(C)nc12.Clc1ccc2cc(Br)ccc2n1.O=CC(F)(F)F
InChIInChI=1S/C24H25N3.C24H23N3.C23H24N4.C18H14ClN3.C15H21BN2O2.C9H5BrClN.C7H12.C2HF3O.4CH4/c2*1-16-12-20(14-21-15-27(2)26-24(16)21)18-8-10-23-19(13-18)9-11-22(25-23)17-6-4-3-5-7-17;1-15-11-19(13-20-14-27(2)26-23(15)20)17-3-5-22-18(12-17)4-6-21(25-22)16-7-9-24-10-8-16;1-11-7-14(9-15-10-22(2)21-18(11)15)12-3-5-16-13(8-12)4-6-17(19)20-16;1-10-7-12(8-11-9-18(6)17-13(10)11)16-19-14(2,3)15(4,5)20-16;10-7-2-3-8-6(5-7)1-4-9(11)12-8;1-7-5-3-2-4-6-7;3-2(4,5)1-6;;;;/h8-15,17H,3-7H2,1-2H3;6,8-15H,3-5,7H2,1-2H3;3-6,11-14,16,24H,7-10H2,1-2H3;3-10H,1-2H3;7-9H,1-6H3;1-5H;5H,2-4,6H2,1H3;1H;4*1H4
InChIKeyBJNFATUVNNWPQG-UHFFFAOYSA-N
MW2146.24 g/mol
LogP33.14
Rot. Bonds8

About 6-bromo-2-chloroquinoline;2-chloro-6-(2,7-dimethylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-6-(2,7-dimethylindazol-5-yl)quinoline;2-cyclohexyl-6-(2,7-dimethylindazol-5-yl)quinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoline;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane;1-methylcyclohexene;2,2,2-trifluoroacetaldehyde

6-bromo-2-chloroquinoline;2-chloro-6-(2,7-dimethylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-6-(2,7-dimethylindazol-5-yl)quinoline;2-cyclohexyl-6-(2,7-dimethylindazol-5-yl)quinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoline;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane;1-methylcyclohexene;2,2,2-trifluoroacetaldehyde (PubChem CID 167542541) has the molecular formula C126H141BBrCl2F3N16O3 and a molecular weight of 2146.24 g/mol. Its IUPAC name is 6-bromo-2-chloroquinoline;2-chloro-6-(2,7-dimethylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-6-(2,7-dimethylindazol-5-yl)quinoline;2-cyclohexyl-6-(2,7-dimethylindazol-5-yl)quinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoline;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane;1-methylcyclohexene;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name6-bromo-2-chloroquinoline;2-chloro-6-(2,7-dimethylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-6-(2,7-dimethylindazol-5-yl)quinoline;2-cyclohexyl-6-(2,7-dimethylindazol-5-yl)quinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoline;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane;1-methylcyclohexene;2,2,2-trifluoroacetaldehyde
PubChem CID167542541
Molecular FormulaC126H141BBrCl2F3N16O3
Molecular Weight2146.24 g/mol
Exact Mass2143.00
IUPAC Name6-bromo-2-chloroquinoline;2-chloro-6-(2,7-dimethylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-6-(2,7-dimethylindazol-5-yl)quinoline;2-cyclohexyl-6-(2,7-dimethylindazol-5-yl)quinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoline;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane;1-methylcyclohexene;2,2,2-trifluoroacetaldehyde
SMILESC.C.C.C.CC1=CCCCC1.Cc1cc(-c2ccc3nc(C4=CCCCC4)ccc3c2)cc2cn(C)nc12.Cc1cc(-c2ccc3nc(C4CCCCC4)ccc3c2)cc2cn(C)nc12.Cc1cc(-c2ccc3nc(C4CCNCC4)ccc3c2)cc2cn(C)nc12.Cc1cc(-c2ccc3nc(Cl)ccc3c2)cc2cn(C)nc12.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2cn(C)nc12.Clc1ccc2cc(Br)ccc2n1.O=CC(F)(F)F
InChIInChI=1S/C24H25N3.C24H23N3.C23H24N4.C18H14ClN3.C15H21BN2O2.C9H5BrClN.C7H12.C2HF3O.4CH4/c2*1-16-12-20(14-21-15-27(2)26-24(16)21)18-8-10-23-19(13-18)9-11-22(25-23)17-6-4-3-5-7-17;1-15-11-19(13-20-14-27(2)26-23(15)20)17-3-5-22-18(12-17)4-6-21(25-22)16-7-9-24-10-8-16;1-11-7-14(9-15-10-22(2)21-18(11)15)12-3-5-16-13(8-12)4-6-17(19)20-16;1-10-7-12(8-11-9-18(6)17-13(10)11)16-19-14(2,3)15(4,5)20-16;10-7-2-3-8-6(5-7)1-4-9(11)12-8;1-7-5-3-2-4-6-7;3-2(4,5)1-6;;;;/h8-15,17H,3-7H2,1-2H3;6,8-15H,3-5,7H2,1-2H3;3-6,11-14,16,24H,7-10H2,1-2H3;3-10H,1-2H3;7-9H,1-6H3;1-5H;5H,2-4,6H2,1H3;1H;4*1H4
InChIKeyBJNFATUVNNWPQG-UHFFFAOYSA-N
XLogP33.14
TPSA201.11 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds8
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002146.24
LogP ≤ 533.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-bromo-2-chloroquinoline;2-chloro-6-(2,7-dimethylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-6-(2,7-dimethylindazol-5-yl)quinoline;2-cyclohexyl-6-(2,7-dimethylindazol-5-yl)quinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoline;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane;1-methylcyclohexene;2,2,2-trifluoroacetaldehyde with MolForge

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Related Compounds

6-Bromo-2-chloroquinoline;2-chloro-6-(2,7-dimethylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-6-(2,7-dimethylindazol-5-yl)quinoline;2-cyclohexyl-6-(2,7-dimethylindazol-5-yl)quinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoline;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-methylcyclohexene
CID 157647657
CID 158859229
CID 158859229
3-bromo-6-[5-(5-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)triazol-4-yl]quinoline;tert-butyl N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate;2-[4-[6-[5-(5-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)triazol-4-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine
CID 159829340
6-bromo-1H-quinolin-2-one;2-chloro-6-piperazin-1-ylquinoline;2-(2-methylindazol-5-yl)-6-piperazin-1-ylquinoline;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;phosphoryl trichloride;piperazine;6-piperazin-1-yl-1H-quinolin-2-one
CID 161905508
6-Bromo-3-chloro-5-isocyanoquinoline;6-bromo-5-isocyanoquinoline;6-(4-bromo-1-methylpyrazol-5-yl)-3-chloro-5-isocyanoquinoline;3-chloro-5-isocyano-6-(2-methylpyrazol-3-yl)quinoline;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 162133499
2-chloro-4-methyl-6-(2-methylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-4-methyl-6-(2-methylindazol-5-yl)quinoline;2-cyclohexyl-4-methyl-6-(2-methylindazol-5-yl)quinoline;methane;1-methylcyclohexene;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline;4-methyl-6-(2-methylindazol-5-yl)-1H-quinolin-2-one;phosphoryl trichloride;dihydrochloride
CID 167595660

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloroquinoline;2-chloro-6-(2,7-dimethylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-6-(2,7-dimethylindazol-5-yl)quinoline;2-cyclohexyl-6-(2,7-dimethylindazol-5-yl)quinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoline;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane;1-methylcyclohexene;2,2,2-trifluoroacetaldehyde?
The IUPAC name of 6-bromo-2-chloroquinoline;2-chloro-6-(2,7-dimethylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-6-(2,7-dimethylindazol-5-yl)quinoline;2-cyclohexyl-6-(2,7-dimethylindazol-5-yl)quinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoline;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane;1-methylcyclohexene;2,2,2-trifluoroacetaldehyde (CID 167542541) is 6-bromo-2-chloroquinoline;2-chloro-6-(2,7-dimethylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-6-(2,7-dimethylindazol-5-yl)quinoline;2-cyclohexyl-6-(2,7-dimethylindazol-5-yl)quinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoline;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane;1-methylcyclohexene;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for 6-bromo-2-chloroquinoline;2-chloro-6-(2,7-dimethylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-6-(2,7-dimethylindazol-5-yl)quinoline;2-cyclohexyl-6-(2,7-dimethylindazol-5-yl)quinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoline;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane;1-methylcyclohexene;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for 6-bromo-2-chloroquinoline;2-chloro-6-(2,7-dimethylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-6-(2,7-dimethylindazol-5-yl)quinoline;2-cyclohexyl-6-(2,7-dimethylindazol-5-yl)quinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoline;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane;1-methylcyclohexene;2,2,2-trifluoroacetaldehyde is C.C.C.C.CC1=CCCCC1.Cc1cc(-c2ccc3nc(C4=CCCCC4)ccc3c2)cc2cn(C)nc12.Cc1cc(-c2ccc3nc(C4CCCCC4)ccc3c2)cc2cn(C)nc12.Cc1cc(-c2ccc3nc(C4CCNCC4)ccc3c2)cc2cn(C)nc12.Cc1cc(-c2ccc3nc(Cl)ccc3c2)cc2cn(C)nc12.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2cn(C)nc12.Clc1ccc2cc(Br)ccc2n1.O=CC(F)(F)F.
What is the InChIKey of 6-bromo-2-chloroquinoline;2-chloro-6-(2,7-dimethylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-6-(2,7-dimethylindazol-5-yl)quinoline;2-cyclohexyl-6-(2,7-dimethylindazol-5-yl)quinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoline;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane;1-methylcyclohexene;2,2,2-trifluoroacetaldehyde?
The InChIKey is BJNFATUVNNWPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3.C24H23N3.C23H24N4.C18H14ClN3.C15H21BN2O2.C9H5BrClN.C7H12.C2HF3O.4CH4/c2*1-16-12-20(14-21-15-27(2)26-24(16)21)18-8-10-23-19(13-18)9-11-22(25-23)17-6-4-3-5-7-17;1-15-11-19(13-20-14-27(2)26-23(15)20)17-3-5-22-18(12-17)4-6-21(25-22)16-7-9-24-10-8-16;1-11-7-14(9-15-10-22(2)21-18(11)15)12-3-5-16-13(8-12)4-6-17(19)20-16;1-10-7-12(8-11-9-18(6)17-13(10)11)16-19-14(2,3)15(4,5)20-16;10-7-2-3-8-6(5-7)1-4-9(11)12-8;1-7-5-3-2-4-6-7;3-2(4,5)1-6;;;;/h8-15,17H,3-7H2,1-2H3;6,8-15H,3-5,7H2,1-2H3;3-6,11-14,16,24H,7-10H2,1-2H3;3-10H,1-2H3;7-9H,1-6H3;1-5H;5H,2-4,6H2,1H3;1H;4*1H4.
What are the key properties of 6-bromo-2-chloroquinoline;2-chloro-6-(2,7-dimethylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-6-(2,7-dimethylindazol-5-yl)quinoline;2-cyclohexyl-6-(2,7-dimethylindazol-5-yl)quinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoline;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane;1-methylcyclohexene;2,2,2-trifluoroacetaldehyde?
6-bromo-2-chloroquinoline;2-chloro-6-(2,7-dimethylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-6-(2,7-dimethylindazol-5-yl)quinoline;2-cyclohexyl-6-(2,7-dimethylindazol-5-yl)quinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoline;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane;1-methylcyclohexene;2,2,2-trifluoroacetaldehyde has a molecular weight of 2146.24 g/mol, XLogP of 33.14, 8 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloroquinoline;2-chloro-6-(2,7-dimethylindazol-5-yl)quinoline;2-(cyclohexen-1-yl)-6-(2,7-dimethylindazol-5-yl)quinoline;2-cyclohexyl-6-(2,7-dimethylindazol-5-yl)quinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoline;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane;1-methylcyclohexene;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 167542541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).