6-bromoquinoline;6-methyl-1-(4-methylphenyl)sulfonyl-4-quinolin-6-ylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-quinolin-6-yl-1H-pyrrolo[2,3-c]pyridin-7-one

C71H63BBrN9O9S2 — CID 163566771

IUPAC6-bromoquinoline;6-methyl-1-(4-methylphenyl)sulfonyl-4-quinolin-6-ylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-quinolin-6-yl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESBrc1ccc2ncccc2c1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5ncccc5c4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(C)c(=O)c32)cc1.Cn1cc(-c2ccc3ncccc3c2)c2cc[nH]c2c1=O
InChIInChI=1S/C24H19N3O3S.C21H25BN2O5S.C17H13N3O.C9H6BrN/c1-16-5-8-19(9-6-16)31(29,30)27-13-11-20-21(15-26(2)24(28)23(20)27)17-7-10-22-18(14-17)4-3-12-25-22;1-14-7-9-15(10-8-14)30(26,27)24-12-11-16-17(13-23(6)19(25)18(16)24)22-28-20(2,3)21(4,5)29-22;1-20-10-14(13-6-8-19-16(13)17(20)21)11-4-5-15-12(9-11)3-2-7-18-15;10-8-3-4-9-7(6-8)2-1-5-11-9/h3-15H,1-2H3;7-13H,1-6H3;2-10,19H,1H3;1-6H
InChIKeyFVWNVNPNRJMNRW-UHFFFAOYSA-N
MW1341.19 g/mol
LogP12.36
Rot. Bonds7

About 6-bromoquinoline;6-methyl-1-(4-methylphenyl)sulfonyl-4-quinolin-6-ylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-quinolin-6-yl-1H-pyrrolo[2,3-c]pyridin-7-one

6-bromoquinoline;6-methyl-1-(4-methylphenyl)sulfonyl-4-quinolin-6-ylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-quinolin-6-yl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 163566771) has the molecular formula C71H63BBrN9O9S2 and a molecular weight of 1341.19 g/mol. Its IUPAC name is 6-bromoquinoline;6-methyl-1-(4-methylphenyl)sulfonyl-4-quinolin-6-ylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-quinolin-6-yl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-bromoquinoline;6-methyl-1-(4-methylphenyl)sulfonyl-4-quinolin-6-ylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-quinolin-6-yl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID163566771
Molecular FormulaC71H63BBrN9O9S2
Molecular Weight1341.19 g/mol
Exact Mass1339.35
IUPAC Name6-bromoquinoline;6-methyl-1-(4-methylphenyl)sulfonyl-4-quinolin-6-ylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-quinolin-6-yl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESBrc1ccc2ncccc2c1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5ncccc5c4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(C)c(=O)c32)cc1.Cn1cc(-c2ccc3ncccc3c2)c2cc[nH]c2c1=O
InChIInChI=1S/C24H19N3O3S.C21H25BN2O5S.C17H13N3O.C9H6BrN/c1-16-5-8-19(9-6-16)31(29,30)27-13-11-20-21(15-26(2)24(28)23(20)27)17-7-10-22-18(14-17)4-3-12-25-22;1-14-7-9-15(10-8-14)30(26,27)24-12-11-16-17(13-23(6)19(25)18(16)24)22-28-20(2,3)21(4,5)29-22;1-20-10-14(13-6-8-19-16(13)17(20)21)11-4-5-15-12(9-11)3-2-7-18-15;10-8-3-4-9-7(6-8)2-1-5-11-9/h3-15H,1-2H3;7-13H,1-6H3;2-10,19H,1H3;1-6H
InChIKeyFVWNVNPNRJMNRW-UHFFFAOYSA-N
XLogP12.36
TPSA217.06 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001341.19
LogP ≤ 512.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 6-bromoquinoline;6-methyl-1-(4-methylphenyl)sulfonyl-4-quinolin-6-ylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-quinolin-6-yl-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

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Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of 6-bromoquinoline;6-methyl-1-(4-methylphenyl)sulfonyl-4-quinolin-6-ylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-quinolin-6-yl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-bromoquinoline;6-methyl-1-(4-methylphenyl)sulfonyl-4-quinolin-6-ylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-quinolin-6-yl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 163566771) is 6-bromoquinoline;6-methyl-1-(4-methylphenyl)sulfonyl-4-quinolin-6-ylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-quinolin-6-yl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-bromoquinoline;6-methyl-1-(4-methylphenyl)sulfonyl-4-quinolin-6-ylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-quinolin-6-yl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-bromoquinoline;6-methyl-1-(4-methylphenyl)sulfonyl-4-quinolin-6-ylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-quinolin-6-yl-1H-pyrrolo[2,3-c]pyridin-7-one is Brc1ccc2ncccc2c1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5ncccc5c4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(C)c(=O)c32)cc1.Cn1cc(-c2ccc3ncccc3c2)c2cc[nH]c2c1=O.
What is the InChIKey of 6-bromoquinoline;6-methyl-1-(4-methylphenyl)sulfonyl-4-quinolin-6-ylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-quinolin-6-yl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is FVWNVNPNRJMNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S.C21H25BN2O5S.C17H13N3O.C9H6BrN/c1-16-5-8-19(9-6-16)31(29,30)27-13-11-20-21(15-26(2)24(28)23(20)27)17-7-10-22-18(14-17)4-3-12-25-22;1-14-7-9-15(10-8-14)30(26,27)24-12-11-16-17(13-23(6)19(25)18(16)24)22-28-20(2,3)21(4,5)29-22;1-20-10-14(13-6-8-19-16(13)17(20)21)11-4-5-15-12(9-11)3-2-7-18-15;10-8-3-4-9-7(6-8)2-1-5-11-9/h3-15H,1-2H3;7-13H,1-6H3;2-10,19H,1H3;1-6H.
What are the key properties of 6-bromoquinoline;6-methyl-1-(4-methylphenyl)sulfonyl-4-quinolin-6-ylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-quinolin-6-yl-1H-pyrrolo[2,3-c]pyridin-7-one?
6-bromoquinoline;6-methyl-1-(4-methylphenyl)sulfonyl-4-quinolin-6-ylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-quinolin-6-yl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 1341.19 g/mol, XLogP of 12.36, 7 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoquinoline;6-methyl-1-(4-methylphenyl)sulfonyl-4-quinolin-6-ylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-quinolin-6-yl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 163566771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).