2-(5-bromo-4-methylquinolin-8-yl)oxypropanamide

C13H13BrN2O2 — CID 82580460

IUPAC2-(5-bromo-4-methylquinolin-8-yl)oxypropanamide
SMILESCc1ccnc2c(OC(C)C(N)=O)ccc(Br)c12
InChIInChI=1S/C13H13BrN2O2/c1-7-5-6-16-12-10(18-8(2)13(15)17)4-3-9(14)11(7)12/h3-6,8H,1-2H3,(H2,15,17)
InChIKeyIDUMADLOMXLYIC-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.56
Rot. Bonds3

About 2-(5-bromo-4-methylquinolin-8-yl)oxypropanamide

2-(5-bromo-4-methylquinolin-8-yl)oxypropanamide (PubChem CID 82580460) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-(5-bromo-4-methylquinolin-8-yl)oxypropanamide.

Molecular Properties

Compound Name2-(5-bromo-4-methylquinolin-8-yl)oxypropanamide
PubChem CID82580460
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-(5-bromo-4-methylquinolin-8-yl)oxypropanamide
SMILESCc1ccnc2c(OC(C)C(N)=O)ccc(Br)c12
InChIInChI=1S/C13H13BrN2O2/c1-7-5-6-16-12-10(18-8(2)13(15)17)4-3-9(14)11(7)12/h3-6,8H,1-2H3,(H2,15,17)
InChIKeyIDUMADLOMXLYIC-UHFFFAOYSA-N
XLogP2.56
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-4-methylquinolin-8-yl)oxy-2-methylpropanoic acid
CID 82580433
2-(5-bromo-2-methylquinolin-8-yl)oxypropanamide
CID 82580448
2-(4-bromo-3-methylphenoxy)propanamide
CID 81302434
2-(4-tert-butyl-2-methylphenoxy)propanamide
CID 55023677
2-(4-amino-2,5-dimethylphenoxy)propanamide
CID 63181130
2-(4-methylquinolin-8-yl)oxypropanoic acid
CID 82580360
(2S)-2-(4-bromo-2-methylphenoxy)propanoic acid
CID 42316822
2-(2-amino-4-bromophenoxy)propanamide
CID 65429423
(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522971
(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 40771290
5-bromo-8-methylquinoline-4-carboxylic acid
CID 165460211
2-(4-bromo-2-methylphenoxy)propanethioamide
CID 63216923

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-methylquinolin-8-yl)oxypropanamide?
The IUPAC name of 2-(5-bromo-4-methylquinolin-8-yl)oxypropanamide (CID 82580460) is 2-(5-bromo-4-methylquinolin-8-yl)oxypropanamide.
What is the SMILES notation for 2-(5-bromo-4-methylquinolin-8-yl)oxypropanamide?
The canonical SMILES for 2-(5-bromo-4-methylquinolin-8-yl)oxypropanamide is Cc1ccnc2c(OC(C)C(N)=O)ccc(Br)c12.
What is the InChIKey of 2-(5-bromo-4-methylquinolin-8-yl)oxypropanamide?
The InChIKey is IDUMADLOMXLYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-7-5-6-16-12-10(18-8(2)13(15)17)4-3-9(14)11(7)12/h3-6,8H,1-2H3,(H2,15,17).
What are the key properties of 2-(5-bromo-4-methylquinolin-8-yl)oxypropanamide?
2-(5-bromo-4-methylquinolin-8-yl)oxypropanamide has a molecular weight of 309.16 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methylquinolin-8-yl)oxypropanamide is sourced from PubChem (CID 82580460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).