2-(5-bromoindol-1-yl)-N-quinolin-8-ylbenzamide

C24H16BrN3O — CID 132600973

IUPAC2-(5-bromoindol-1-yl)-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1ccccc1-n1ccc2cc(Br)ccc21
InChIInChI=1S/C24H16BrN3O/c25-18-10-11-21-17(15-18)12-14-28(21)22-9-2-1-7-19(22)24(29)27-20-8-3-5-16-6-4-13-26-23(16)20/h1-15H,(H,27,29)
InChIKeyPKLHPOZZSKPIRM-UHFFFAOYSA-N
MW442.32 g/mol
LogP6.19
Rot. Bonds3

About 2-(5-bromoindol-1-yl)-N-quinolin-8-ylbenzamide

2-(5-bromoindol-1-yl)-N-quinolin-8-ylbenzamide (PubChem CID 132600973) has the molecular formula C24H16BrN3O and a molecular weight of 442.32 g/mol. Its IUPAC name is 2-(5-bromoindol-1-yl)-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name2-(5-bromoindol-1-yl)-N-quinolin-8-ylbenzamide
PubChem CID132600973
Molecular FormulaC24H16BrN3O
Molecular Weight442.32 g/mol
Exact Mass441.05
IUPAC Name2-(5-bromoindol-1-yl)-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1ccccc1-n1ccc2cc(Br)ccc21
InChIInChI=1S/C24H16BrN3O/c25-18-10-11-21-17(15-18)12-14-28(21)22-9-2-1-7-19(22)24(29)27-20-8-3-5-16-6-4-13-26-23(16)20/h1-15H,(H,27,29)
InChIKeyPKLHPOZZSKPIRM-UHFFFAOYSA-N
XLogP6.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.32
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-fluoro-N-quinolin-8-ylbenzamide
CID 24710942
N-(2-bromophenyl)quinoline-8-carboxamide
CID 60651885
2-amino-3-bromo-N-quinolin-8-ylbenzamide
CID 110451344
1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide
CID 110691327
2-(aminomethyl)-N-quinolin-8-ylbenzamide
CID 82546402
N-(3-bromoquinolin-8-yl)-2-hydroxybenzamide
CID 116784757
5-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 837055
1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide
CID 110765475
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762
N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide
CID 61497887
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoindol-1-yl)-N-quinolin-8-ylbenzamide?
The IUPAC name of 2-(5-bromoindol-1-yl)-N-quinolin-8-ylbenzamide (CID 132600973) is 2-(5-bromoindol-1-yl)-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 2-(5-bromoindol-1-yl)-N-quinolin-8-ylbenzamide?
The canonical SMILES for 2-(5-bromoindol-1-yl)-N-quinolin-8-ylbenzamide is O=C(Nc1cccc2cccnc12)c1ccccc1-n1ccc2cc(Br)ccc21.
What is the InChIKey of 2-(5-bromoindol-1-yl)-N-quinolin-8-ylbenzamide?
The InChIKey is PKLHPOZZSKPIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrN3O/c25-18-10-11-21-17(15-18)12-14-28(21)22-9-2-1-7-19(22)24(29)27-20-8-3-5-16-6-4-13-26-23(16)20/h1-15H,(H,27,29).
What are the key properties of 2-(5-bromoindol-1-yl)-N-quinolin-8-ylbenzamide?
2-(5-bromoindol-1-yl)-N-quinolin-8-ylbenzamide has a molecular weight of 442.32 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoindol-1-yl)-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 132600973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).