2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide

C18H12BrN3O — CID 59930142

IUPAC2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2ccccc12
InChIInChI=1S/C18H12BrN3O/c19-10-5-6-15-12(7-10)14(9-21-15)17-8-13(18(20)23)11-3-1-2-4-16(11)22-17/h1-9,21H,(H2,20,23)
InChIKeyQKZLLOSYDUEVTI-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.24
Rot. Bonds2

About 2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide

2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide (PubChem CID 59930142) has the molecular formula C18H12BrN3O and a molecular weight of 366.22 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
PubChem CID59930142
Molecular FormulaC18H12BrN3O
Molecular Weight366.22 g/mol
Exact Mass365.02
IUPAC Name2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2ccccc12
InChIInChI=1S/C18H12BrN3O/c19-10-5-6-15-12(7-10)14(9-21-15)17-8-13(18(20)23)11-3-1-2-4-16(11)22-17/h1-9,21H,(H2,20,23)
InChIKeyQKZLLOSYDUEVTI-UHFFFAOYSA-N
XLogP4.24
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(3-aminopropanoylamino)methyl]phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729849
N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 54086913
(3-aminopyrrolidin-1-yl)-[2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]methanone
CID 18729636
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729868
N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide;2-(5-bromo-1H-indol-3-yl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]quinoline-4-carboxamide
CID 161116274
6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide
CID 91689273
N-[[4-(aminomethyl)phenyl]methyl]-6-bromo-2-(5-chloro-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729975
5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one
CID 59950817
[2-(5-bromo-1H-indol-3-yl)-6-iodoquinolin-4-yl]methanol
CID 18729517
N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-8-fluoroquinoline-4-carboxamide
CID 18729776
2-(1H-pyrrol-2-yl)quinoline-4-carboxamide
CID 175947140
N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-(trifluoromethyl)quinoline-4-carboxamide
CID 18729915

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide (CID 59930142) is 2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide is NC(=O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2ccccc12.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide?
The InChIKey is QKZLLOSYDUEVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O/c19-10-5-6-15-12(7-10)14(9-21-15)17-8-13(18(20)23)11-3-1-2-4-16(11)22-17/h1-9,21H,(H2,20,23).
What are the key properties of 2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide?
2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide has a molecular weight of 366.22 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 59930142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).