4-acetyl-6-bromo-1-ethylquinolin-2-one

C13H12BrNO2 — CID 134910530

IUPAC4-acetyl-6-bromo-1-ethylquinolin-2-one
SMILESCCn1c(=O)cc(C(C)=O)c2cc(Br)ccc21
InChIInChI=1S/C13H12BrNO2/c1-3-15-12-5-4-9(14)6-11(12)10(8(2)16)7-13(15)17/h4-7H,3H2,1-2H3
InChIKeyPNZGZPRHYGXWHQ-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.99
Rot. Bonds2

About 4-acetyl-6-bromo-1-ethylquinolin-2-one

4-acetyl-6-bromo-1-ethylquinolin-2-one (PubChem CID 134910530) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-acetyl-6-bromo-1-ethylquinolin-2-one.

Molecular Properties

Compound Name4-acetyl-6-bromo-1-ethylquinolin-2-one
PubChem CID134910530
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name4-acetyl-6-bromo-1-ethylquinolin-2-one
SMILESCCn1c(=O)cc(C(C)=O)c2cc(Br)ccc21
InChIInChI=1S/C13H12BrNO2/c1-3-15-12-5-4-9(14)6-11(12)10(8(2)16)7-13(15)17/h4-7H,3H2,1-2H3
InChIKeyPNZGZPRHYGXWHQ-UHFFFAOYSA-N
XLogP2.99
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone
CID 83948117
2-(3-acetyl-5-bromoindol-1-yl)acetic acid
CID 83948120
diethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate
CID 11359009
1-[5-bromo-1-(2-methylprop-2-enyl)indol-3-yl]ethanone
CID 117098702
4-benzoyl-6-bromo-1-[(2,4,6-trimethylphenyl)methyl]quinolin-2-one
CID 132850355
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083
1-[5-bromo-1-[(4-methylphenyl)methyl]indol-3-yl]ethanone
CID 83526142
1-(5-bromo-1-ethylindol-3-yl)propan-2-one
CID 117195591
1-ethyl-4-hydroxy-6-methylquinolin-2-one
CID 54696301
2,7-dibromo-10-butylacridin-9-one
CID 86036844
1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone
CID 102336520
6-bromo-4-[(dimethylamino)methyl]-1-(2-hydroxyethyl)quinolin-2-one
CID 178046418

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-6-bromo-1-ethylquinolin-2-one?
The IUPAC name of 4-acetyl-6-bromo-1-ethylquinolin-2-one (CID 134910530) is 4-acetyl-6-bromo-1-ethylquinolin-2-one.
What is the SMILES notation for 4-acetyl-6-bromo-1-ethylquinolin-2-one?
The canonical SMILES for 4-acetyl-6-bromo-1-ethylquinolin-2-one is CCn1c(=O)cc(C(C)=O)c2cc(Br)ccc21.
What is the InChIKey of 4-acetyl-6-bromo-1-ethylquinolin-2-one?
The InChIKey is PNZGZPRHYGXWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-3-15-12-5-4-9(14)6-11(12)10(8(2)16)7-13(15)17/h4-7H,3H2,1-2H3.
What are the key properties of 4-acetyl-6-bromo-1-ethylquinolin-2-one?
4-acetyl-6-bromo-1-ethylquinolin-2-one has a molecular weight of 294.15 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-6-bromo-1-ethylquinolin-2-one is sourced from PubChem (CID 134910530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).