N-(5-bromoquinolin-8-yl)butanamide

C13H13BrN2O — CID 35287139

IUPACN-(5-bromoquinolin-8-yl)butanamide
SMILESCCCC(=O)Nc1ccc(Br)c2cccnc12
InChIInChI=1S/C13H13BrN2O/c1-2-4-12(17)16-11-7-6-10(14)9-5-3-8-15-13(9)11/h3,5-8H,2,4H2,1H3,(H,16,17)
InChIKeyFYBKXHCSKQOJGF-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.74
Rot. Bonds3

About N-(5-bromoquinolin-8-yl)butanamide

N-(5-bromoquinolin-8-yl)butanamide (PubChem CID 35287139) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is N-(5-bromoquinolin-8-yl)butanamide.

Molecular Properties

Compound NameN-(5-bromoquinolin-8-yl)butanamide
PubChem CID35287139
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC NameN-(5-bromoquinolin-8-yl)butanamide
SMILESCCCC(=O)Nc1ccc(Br)c2cccnc12
InChIInChI=1S/C13H13BrN2O/c1-2-4-12(17)16-11-7-6-10(14)9-5-3-8-15-13(9)11/h3,5-8H,2,4H2,1H3,(H,16,17)
InChIKeyFYBKXHCSKQOJGF-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid
CID 22742503
2-[2-[(5-bromoquinolin-8-yl)amino]-2-oxoethyl]benzoic acid
CID 56761360
phenacyl 4-[(5-bromoquinolin-8-yl)amino]-4-oxobutanoate
CID 126189419
N-(5-bromoquinolin-8-yl)-2-(oxolan-3-yl)acetamide
CID 119051811
N-(5-bromoquinolin-8-yl)-2-(1H-indol-3-yl)acetamide
CID 35286701
N-(5-bromoquinolin-8-yl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280667
N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide
CID 19280962
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474197
[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 4-[(5-bromoquinolin-8-yl)amino]-4-oxobutanoate
CID 126186619
2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide
CID 19549718
N-(5-bromoquinolin-8-yl)-3-(2-chloro-4-nitrophenyl)sulfanylpropanamide
CID 1307482

Frequently Asked Questions

What is the IUPAC name of N-(5-bromoquinolin-8-yl)butanamide?
The IUPAC name of N-(5-bromoquinolin-8-yl)butanamide (CID 35287139) is N-(5-bromoquinolin-8-yl)butanamide.
What is the SMILES notation for N-(5-bromoquinolin-8-yl)butanamide?
The canonical SMILES for N-(5-bromoquinolin-8-yl)butanamide is CCCC(=O)Nc1ccc(Br)c2cccnc12.
What is the InChIKey of N-(5-bromoquinolin-8-yl)butanamide?
The InChIKey is FYBKXHCSKQOJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-2-4-12(17)16-11-7-6-10(14)9-5-3-8-15-13(9)11/h3,5-8H,2,4H2,1H3,(H,16,17).
What are the key properties of N-(5-bromoquinolin-8-yl)butanamide?
N-(5-bromoquinolin-8-yl)butanamide has a molecular weight of 293.16 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromoquinolin-8-yl)butanamide is sourced from PubChem (CID 35287139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).