2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide

C13H13BrN2O2 — CID 100736017

IUPAC2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1ccc(=O)c2cc(Br)ccc21
InChIInChI=1S/C13H13BrN2O2/c1-2-15-13(18)8-16-6-5-12(17)10-7-9(14)3-4-11(10)16/h3-7H,2,8H2,1H3,(H,15,18)
InChIKeyRXBRHYSDJMRTLM-UHFFFAOYSA-N
MW309.16 g/mol
LogP1.90
Rot. Bonds3

About 2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide

2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide (PubChem CID 100736017) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide
PubChem CID100736017
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1ccc(=O)c2cc(Br)ccc21
InChIInChI=1S/C13H13BrN2O2/c1-2-15-13(18)8-16-6-5-12(17)10-7-9(14)3-4-11(10)16/h3-7H,2,8H2,1H3,(H,15,18)
InChIKeyRXBRHYSDJMRTLM-UHFFFAOYSA-N
XLogP1.90
TPSA51.10 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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide
CID 100736190
2-(6-bromo-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 100737481
2-(6-bromo-4-oxoquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 100736460
2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100736482
2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 100737711
2-(6-bromo-4-oxoquinolin-1-yl)-N-cyclooctylacetamide
CID 100737684
2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 100736984
ethyl 2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetate
CID 100779669
2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide
CID 100779672
N-(4-bromophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 43833238
2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 100739658
N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 100734647

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide (CID 100736017) is 2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide is CCNC(=O)Cn1ccc(=O)c2cc(Br)ccc21.
What is the InChIKey of 2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide?
The InChIKey is RXBRHYSDJMRTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-2-15-13(18)8-16-6-5-12(17)10-7-9(14)3-4-11(10)16/h3-7H,2,8H2,1H3,(H,15,18).
What are the key properties of 2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide?
2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide has a molecular weight of 309.16 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide is sourced from PubChem (CID 100736017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).