6-bromo-2-chloroquinoline;6-bromo-2-methoxyquinoline;methane;4-(2-methoxyquinolin-6-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-(2-methoxyquinolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one

C76H70BBr2ClN10O10S — CID 163416747

IUPAC6-bromo-2-chloroquinoline;6-bromo-2-methoxyquinoline;methane;4-(2-methoxyquinolin-6-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-(2-methoxyquinolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
SMILESC.CC1(C)OB(c2c[nH]c(=O)c3[nH]ccc23)OC1(C)C.COc1ccc2cc(-c3cn(C)c(=O)c4[nH]ccc34)ccc2n1.COc1ccc2cc(-c3cn(C)c(=O)c4c3ccn4S(=O)(=O)c3ccc(C)cc3)ccc2n1.COc1ccc2cc(Br)ccc2n1.Clc1ccc2cc(Br)ccc2n1
InChIInChI=1S/C25H21N3O4S.C18H15N3O2.C13H17BN2O3.C10H8BrNO.C9H5BrClN.CH4/c1-16-4-8-19(9-5-16)33(30,31)28-13-12-20-21(15-27(2)25(29)24(20)28)17-6-10-22-18(14-17)7-11-23(26-22)32-3;1-21-10-14(13-7-8-19-17(13)18(21)22)11-3-5-15-12(9-11)4-6-16(20-15)23-2;1-12(2)13(3,4)19-14(18-12)9-7-16-11(17)10-8(9)5-6-15-10;1-13-10-5-2-7-6-8(11)3-4-9(7)12-10;10-7-2-3-8-6(5-7)1-4-9(11)12-8;/h4-15H,1-3H3;3-10,19H,1-2H3;5-7,15H,1-4H3,(H,16,17);2-6H,1H3;1-5H;1H4
InChIKeyAFBICTUUKLECLD-UHFFFAOYSA-N
MW1521.60 g/mol
LogP15.65
Rot. Bonds8

About 6-bromo-2-chloroquinoline;6-bromo-2-methoxyquinoline;methane;4-(2-methoxyquinolin-6-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-(2-methoxyquinolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one

6-bromo-2-chloroquinoline;6-bromo-2-methoxyquinoline;methane;4-(2-methoxyquinolin-6-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-(2-methoxyquinolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one (PubChem CID 163416747) has the molecular formula C76H70BBr2ClN10O10S and a molecular weight of 1521.60 g/mol. Its IUPAC name is 6-bromo-2-chloroquinoline;6-bromo-2-methoxyquinoline;methane;4-(2-methoxyquinolin-6-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-(2-methoxyquinolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-bromo-2-chloroquinoline;6-bromo-2-methoxyquinoline;methane;4-(2-methoxyquinolin-6-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-(2-methoxyquinolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
PubChem CID163416747
Molecular FormulaC76H70BBr2ClN10O10S
Molecular Weight1521.60 g/mol
Exact Mass1518.31
IUPAC Name6-bromo-2-chloroquinoline;6-bromo-2-methoxyquinoline;methane;4-(2-methoxyquinolin-6-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-(2-methoxyquinolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
SMILESC.CC1(C)OB(c2c[nH]c(=O)c3[nH]ccc23)OC1(C)C.COc1ccc2cc(-c3cn(C)c(=O)c4[nH]ccc34)ccc2n1.COc1ccc2cc(-c3cn(C)c(=O)c4c3ccn4S(=O)(=O)c3ccc(C)cc3)ccc2n1.COc1ccc2cc(Br)ccc2n1.Clc1ccc2cc(Br)ccc2n1
InChIInChI=1S/C25H21N3O4S.C18H15N3O2.C13H17BN2O3.C10H8BrNO.C9H5BrClN.CH4/c1-16-4-8-19(9-5-16)33(30,31)28-13-12-20-21(15-27(2)25(29)24(20)28)17-6-10-22-18(14-17)7-11-23(26-22)32-3;1-21-10-14(13-7-8-19-17(13)18(21)22)11-3-5-15-12(9-11)4-6-16(20-15)23-2;1-12(2)13(3,4)19-14(18-12)9-7-16-11(17)10-8(9)5-6-15-10;1-13-10-5-2-7-6-8(11)3-4-9(7)12-10;10-7-2-3-8-6(5-7)1-4-9(11)12-8;/h4-15H,1-3H3;3-10,19H,1-2H3;5-7,15H,1-4H3,(H,16,17);2-6H,1H3;1-5H;1H4
InChIKeyAFBICTUUKLECLD-UHFFFAOYSA-N
XLogP15.65
TPSA245.22 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001521.60
LogP ≤ 515.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 6-bromo-2-chloroquinoline;6-bromo-2-methoxyquinoline;methane;4-(2-methoxyquinolin-6-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-(2-methoxyquinolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloroquinoline;6-bromo-2-methoxyquinoline;methane;4-(2-methoxyquinolin-6-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-(2-methoxyquinolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-bromo-2-chloroquinoline;6-bromo-2-methoxyquinoline;methane;4-(2-methoxyquinolin-6-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-(2-methoxyquinolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one (CID 163416747) is 6-bromo-2-chloroquinoline;6-bromo-2-methoxyquinoline;methane;4-(2-methoxyquinolin-6-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-(2-methoxyquinolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-bromo-2-chloroquinoline;6-bromo-2-methoxyquinoline;methane;4-(2-methoxyquinolin-6-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-(2-methoxyquinolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-bromo-2-chloroquinoline;6-bromo-2-methoxyquinoline;methane;4-(2-methoxyquinolin-6-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-(2-methoxyquinolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one is C.CC1(C)OB(c2c[nH]c(=O)c3[nH]ccc23)OC1(C)C.COc1ccc2cc(-c3cn(C)c(=O)c4[nH]ccc34)ccc2n1.COc1ccc2cc(-c3cn(C)c(=O)c4c3ccn4S(=O)(=O)c3ccc(C)cc3)ccc2n1.COc1ccc2cc(Br)ccc2n1.Clc1ccc2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-chloroquinoline;6-bromo-2-methoxyquinoline;methane;4-(2-methoxyquinolin-6-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-(2-methoxyquinolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The InChIKey is AFBICTUUKLECLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4S.C18H15N3O2.C13H17BN2O3.C10H8BrNO.C9H5BrClN.CH4/c1-16-4-8-19(9-5-16)33(30,31)28-13-12-20-21(15-27(2)25(29)24(20)28)17-6-10-22-18(14-17)7-11-23(26-22)32-3;1-21-10-14(13-7-8-19-17(13)18(21)22)11-3-5-15-12(9-11)4-6-16(20-15)23-2;1-12(2)13(3,4)19-14(18-12)9-7-16-11(17)10-8(9)5-6-15-10;1-13-10-5-2-7-6-8(11)3-4-9(7)12-10;10-7-2-3-8-6(5-7)1-4-9(11)12-8;/h4-15H,1-3H3;3-10,19H,1-2H3;5-7,15H,1-4H3,(H,16,17);2-6H,1H3;1-5H;1H4.
What are the key properties of 6-bromo-2-chloroquinoline;6-bromo-2-methoxyquinoline;methane;4-(2-methoxyquinolin-6-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-(2-methoxyquinolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
6-bromo-2-chloroquinoline;6-bromo-2-methoxyquinoline;methane;4-(2-methoxyquinolin-6-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-(2-methoxyquinolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one has a molecular weight of 1521.60 g/mol, XLogP of 15.65, 8 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloroquinoline;6-bromo-2-methoxyquinoline;methane;4-(2-methoxyquinolin-6-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-(2-methoxyquinolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 163416747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).