3-bromo-1-ethylquinolin-2-one

C11H10BrNO — CID 116985609

IUPAC3-bromo-1-ethylquinolin-2-one
SMILESCCn1c(=O)c(Br)cc2ccccc21
InChIInChI=1S/C11H10BrNO/c1-2-13-10-6-4-3-5-8(10)7-9(12)11(13)14/h3-7H,2H2,1H3
InChIKeyRRRFPHNUGZKWOU-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.78
Rot. Bonds1

About 3-bromo-1-ethylquinolin-2-one

3-bromo-1-ethylquinolin-2-one (PubChem CID 116985609) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 3-bromo-1-ethylquinolin-2-one.

Molecular Properties

Compound Name3-bromo-1-ethylquinolin-2-one
PubChem CID116985609
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name3-bromo-1-ethylquinolin-2-one
SMILESCCn1c(=O)c(Br)cc2ccccc21
InChIInChI=1S/C11H10BrNO/c1-2-13-10-6-4-3-5-8(10)7-9(12)11(13)14/h3-7H,2H2,1H3
InChIKeyRRRFPHNUGZKWOU-UHFFFAOYSA-N
XLogP2.78
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-ethylquinolin-2-one?
The IUPAC name of 3-bromo-1-ethylquinolin-2-one (CID 116985609) is 3-bromo-1-ethylquinolin-2-one.
What is the SMILES notation for 3-bromo-1-ethylquinolin-2-one?
The canonical SMILES for 3-bromo-1-ethylquinolin-2-one is CCn1c(=O)c(Br)cc2ccccc21.
What is the InChIKey of 3-bromo-1-ethylquinolin-2-one?
The InChIKey is RRRFPHNUGZKWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-2-13-10-6-4-3-5-8(10)7-9(12)11(13)14/h3-7H,2H2,1H3.
What are the key properties of 3-bromo-1-ethylquinolin-2-one?
3-bromo-1-ethylquinolin-2-one has a molecular weight of 252.11 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-ethylquinolin-2-one is sourced from PubChem (CID 116985609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).