N-benzyl-2-(6-bromo-2-methylquinolin-4-yl)oxyacetamide

C19H17BrN2O2 — CID 70691354

IUPACN-benzyl-2-(6-bromo-2-methylquinolin-4-yl)oxyacetamide
SMILESCc1cc(OCC(=O)NCc2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C19H17BrN2O2/c1-13-9-18(16-10-15(20)7-8-17(16)22-13)24-12-19(23)21-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyAYMPBNKUIKAENG-UHFFFAOYSA-N
MW385.26 g/mol
LogP4.00
Rot. Bonds5

About N-benzyl-2-(6-bromo-2-methylquinolin-4-yl)oxyacetamide

N-benzyl-2-(6-bromo-2-methylquinolin-4-yl)oxyacetamide (PubChem CID 70691354) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is N-benzyl-2-(6-bromo-2-methylquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-bromo-2-methylquinolin-4-yl)oxyacetamide
PubChem CID70691354
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC NameN-benzyl-2-(6-bromo-2-methylquinolin-4-yl)oxyacetamide
SMILESCc1cc(OCC(=O)NCc2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C19H17BrN2O2/c1-13-9-18(16-10-15(20)7-8-17(16)22-13)24-12-19(23)21-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyAYMPBNKUIKAENG-UHFFFAOYSA-N
XLogP4.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-methoxy-2-methyl-4-quinolyl)oxy]-N-(2-methoxyphenyl)acetamide
CID 70685044
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-(4-pentylphenyl)acetamide
CID 137653074
N-[(2-methylquinolin-4-yl)methyl]-2-(4-nitrophenoxy)acetamide
CID 1503106
N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
CID 70682976
6-bromo-N-[2-(2-methoxyphenyl)propyl]-3-methyl-2-phenylquinoline-4-carboxamide
CID 162659434
2-(3,4-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide
CID 4915925
2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide
CID 4915926
N-(3,5-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
CID 2405852
2-{[3-(Aminomethyl)-4-phenyl-2-propylquinolin-6-yl]oxy}acetamide
CID 68829854
2-[3-(Aminomethyl)-2-pentyl-4-phenylquinolin-6-yl]oxyacetamide
CID 68829908
2-[3-(Aminomethyl)-2-butyl-4-phenylquinolin-6-yl]oxyacetamide
CID 68829917
2-{[3-(aminomethyl)-2-isobutyl-4-(4-methylphenyl)quinolin-6-yl]oxy}-N-methylacetamide dihydrochloride
CID 68830038

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-bromo-2-methylquinolin-4-yl)oxyacetamide?
The IUPAC name of N-benzyl-2-(6-bromo-2-methylquinolin-4-yl)oxyacetamide (CID 70691354) is N-benzyl-2-(6-bromo-2-methylquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-benzyl-2-(6-bromo-2-methylquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-benzyl-2-(6-bromo-2-methylquinolin-4-yl)oxyacetamide is Cc1cc(OCC(=O)NCc2ccccc2)c2cc(Br)ccc2n1.
What is the InChIKey of N-benzyl-2-(6-bromo-2-methylquinolin-4-yl)oxyacetamide?
The InChIKey is AYMPBNKUIKAENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c1-13-9-18(16-10-15(20)7-8-17(16)22-13)24-12-19(23)21-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,21,23).
What are the key properties of N-benzyl-2-(6-bromo-2-methylquinolin-4-yl)oxyacetamide?
N-benzyl-2-(6-bromo-2-methylquinolin-4-yl)oxyacetamide has a molecular weight of 385.26 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-bromo-2-methylquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 70691354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).