4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one

C23H16BrN3O3S — CID 164705123

IUPAC4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5cc(Br)ccc5n4)c[nH]c(=O)c32)cc1
InChIInChI=1S/C23H16BrN3O3S/c1-14-2-6-17(7-3-14)31(29,30)27-11-10-18-19(13-25-23(28)22(18)27)21-8-4-15-12-16(24)5-9-20(15)26-21/h2-13H,1H3,(H,25,28)
InChIKeyIFESITUVJVHAKZ-UHFFFAOYSA-N
MW494.37 g/mol
LogP4.85
Rot. Bonds3

About 4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one

4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 164705123) has the molecular formula C23H16BrN3O3S and a molecular weight of 494.37 g/mol. Its IUPAC name is 4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID164705123
Molecular FormulaC23H16BrN3O3S
Molecular Weight494.37 g/mol
Exact Mass493.01
IUPAC Name4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5cc(Br)ccc5n4)c[nH]c(=O)c32)cc1
InChIInChI=1S/C23H16BrN3O3S/c1-14-2-6-17(7-3-14)31(29,30)27-11-10-18-19(13-25-23(28)22(18)27)21-8-4-15-12-16(24)5-9-20(15)26-21/h2-13H,1H3,(H,25,28)
InChIKeyIFESITUVJVHAKZ-UHFFFAOYSA-N
XLogP4.85
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.37
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 164705162
5-bromo-1-(4-methylphenyl)sulfonylindole
CID 11954618
6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one
CID 163547694
4-[6-[6-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]-3-pyridinyl]quinolin-2-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
CID 163771729
4-[2-[4-[2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
CID 164705159
3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide
CID 46376242
1-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-b]pyridin-4-one
CID 151544387
3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole;5,7-difluoro-1-(4-methylphenyl)sulfonylindole
CID 158503491
5-bromo-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 132573373
potassium;1-bromo-4-(2-chloroethoxy)benzene;6-bromo-2-chloroquinoline;6-bromo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinoline;1-[2-(4-bromophenoxy)ethyl]-4-methylpiperazine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]pyrrolo[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-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;1-methylpiperazine;1-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine;hydroxide
CID 163950039
4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine;4-bromo-7-methoxy-1H-pyrrolo[2,3-c]pyridine;4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;tritide;tungsten;uranium;vanadium
CID 158427674
3,8-dibromo-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole
CID 139048804

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one (CID 164705123) is 4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one is Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5cc(Br)ccc5n4)c[nH]c(=O)c32)cc1.
What is the InChIKey of 4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is IFESITUVJVHAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrN3O3S/c1-14-2-6-17(7-3-14)31(29,30)27-11-10-18-19(13-25-23(28)22(18)27)21-8-4-15-12-16(24)5-9-20(15)26-21/h2-13H,1H3,(H,25,28).
What are the key properties of 4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one?
4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 494.37 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 164705123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).