N-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide

C42H29BrN6O4 — CID 158452043

IUPACN-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cc2[nH]ccc2cc1-c1ccccc1)c1c[nH]c2ccccc2c1=O.O=C(Nc1cc2[nH]ccc2cc1Br)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C24H17N3O2.C18H12BrN3O2/c28-23-17-8-4-5-9-20(17)26-14-19(23)24(29)27-22-13-21-16(10-11-25-21)12-18(22)15-6-2-1-3-7-15;19-13-7-10-5-6-20-15(10)8-16(13)22-18(24)12-9-21-14-4-2-1-3-11(14)17(12)23/h1-14,25H,(H,26,28)(H,27,29);1-9,20H,(H,21,23)(H,22,24)
InChIKeyHECQLBYPIBDKKT-UHFFFAOYSA-N
MW761.64 g/mol
LogP8.95
Rot. Bonds5

About N-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide

N-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide (PubChem CID 158452043) has the molecular formula C42H29BrN6O4 and a molecular weight of 761.64 g/mol. Its IUPAC name is N-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide
PubChem CID158452043
Molecular FormulaC42H29BrN6O4
Molecular Weight761.64 g/mol
Exact Mass760.14
IUPAC NameN-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cc2[nH]ccc2cc1-c1ccccc1)c1c[nH]c2ccccc2c1=O.O=C(Nc1cc2[nH]ccc2cc1Br)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C24H17N3O2.C18H12BrN3O2/c28-23-17-8-4-5-9-20(17)26-14-19(23)24(29)27-22-13-21-16(10-11-25-21)12-18(22)15-6-2-1-3-7-15;19-13-7-10-5-6-20-15(10)8-16(13)22-18(24)12-9-21-14-4-2-1-3-11(14)17(12)23/h1-14,25H,(H,26,28)(H,27,29);1-9,20H,(H,21,23)(H,22,24)
InChIKeyHECQLBYPIBDKKT-UHFFFAOYSA-N
XLogP8.95
TPSA155.50 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500761.64
LogP ≤ 58.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-Oxo-n-(5-tert-butyl-1h-indol-6-yl)-1h-quinoline-3-carboxamide
CID 66675121
N-(5-ethyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 66675903
2-[2-(5-Bromo-1H-indol-3-yl)-ethyl]-3-(3-dimethylamino-phenyl)-3H-quinazolin-4-one
CID 14843045
2-(6-bromo-1H-indol-3-yl)-N-[4-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxo-acetyl]amino]propylamino]butyl]-2-oxo-acetamide
CID 129905365
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 145954326
N-(pyridin-4-ylmethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide
CID 155517471
N-(pyridin-3-ylmethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide
CID 155519271
N-(pyridin-2-ylmethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide
CID 155520146
2-bromo-N-(2-pyrrolidin-1-ylethyl)-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide
CID 155522772
2-bromo-N-[2-(dimethylamino)ethyl]-5,12-dihydroindolo[3,2-c]carbazole-6-carboxamide
CID 155568711
2-(5-bromo-1H-indol-3-yl)-N-[1-(5-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 71223597
2-(5-bromo-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 44310770

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide?
The IUPAC name of N-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide (CID 158452043) is N-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide is O=C(Nc1cc2[nH]ccc2cc1-c1ccccc1)c1c[nH]c2ccccc2c1=O.O=C(Nc1cc2[nH]ccc2cc1Br)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide?
The InChIKey is HECQLBYPIBDKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2.C18H12BrN3O2/c28-23-17-8-4-5-9-20(17)26-14-19(23)24(29)27-22-13-21-16(10-11-25-21)12-18(22)15-6-2-1-3-7-15;19-13-7-10-5-6-20-15(10)8-16(13)22-18(24)12-9-21-14-4-2-1-3-11(14)17(12)23/h1-14,25H,(H,26,28)(H,27,29);1-9,20H,(H,21,23)(H,22,24).
What are the key properties of N-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide?
N-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide has a molecular weight of 761.64 g/mol, XLogP of 8.95, 5 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 158452043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).