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

C43H33BrN6O4 — CID 158331307

IUPACN-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;methane;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide
SMILESC.O=C(Nc1cc2[nH]ccc2cc1-c1ccccc1)c1c[nH]c2ccccc2c1=O.O=C(Nc1cc2[nH]ccc2cc1Br)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C24H17N3O2.C18H12BrN3O2.CH4/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);1H4
InChIKeyGQAUGFUQRHELOH-UHFFFAOYSA-N
MW777.68 g/mol
LogP9.59
Rot. Bonds5

About N-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;methane;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;methane;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide (PubChem CID 158331307) has the molecular formula C43H33BrN6O4 and a molecular weight of 777.68 g/mol. Its IUPAC name is N-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;methane;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;methane;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide
PubChem CID158331307
Molecular FormulaC43H33BrN6O4
Molecular Weight777.68 g/mol
Exact Mass776.17
IUPAC NameN-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;methane;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide
SMILESC.O=C(Nc1cc2[nH]ccc2cc1-c1ccccc1)c1c[nH]c2ccccc2c1=O.O=C(Nc1cc2[nH]ccc2cc1Br)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C24H17N3O2.C18H12BrN3O2.CH4/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);1H4
InChIKeyGQAUGFUQRHELOH-UHFFFAOYSA-N
XLogP9.59
TPSA155.50 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500777.68
LogP ≤ 59.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 66674857
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
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
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
3-[1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]-1,3-dihydroindol-2-one
CID 57396375
2-(5-bromo-1H-indol-3-yl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-2-oxoacetamide
CID 163362077

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;methane;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;methane;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide (CID 158331307) is N-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;methane;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;methane;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;methane;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide is C.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;methane;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide?
The InChIKey is GQAUGFUQRHELOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2.C18H12BrN3O2.CH4/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);1H4.
What are the key properties of N-(5-bromo-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide;methane;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;methane;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide has a molecular weight of 777.68 g/mol, XLogP of 9.59, 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;methane;4-oxo-N-(5-phenyl-1H-indol-6-yl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 158331307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).