6-bromo-1-ethyl-2-methylquinolin-4-one

C12H12BrNO — CID 16644466

IUPAC6-bromo-1-ethyl-2-methylquinolin-4-one
SMILESCCn1c(C)cc(=O)c2cc(Br)ccc21
InChIInChI=1S/C12H12BrNO/c1-3-14-8(2)6-12(15)10-7-9(13)4-5-11(10)14/h4-7H,3H2,1-2H3
InChIKeyCORBBMSRNFDRQQ-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.09
Rot. Bonds1

About 6-bromo-1-ethyl-2-methylquinolin-4-one

6-bromo-1-ethyl-2-methylquinolin-4-one (PubChem CID 16644466) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 6-bromo-1-ethyl-2-methylquinolin-4-one.

Molecular Properties

Compound Name6-bromo-1-ethyl-2-methylquinolin-4-one
PubChem CID16644466
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name6-bromo-1-ethyl-2-methylquinolin-4-one
SMILESCCn1c(C)cc(=O)c2cc(Br)ccc21
InChIInChI=1S/C12H12BrNO/c1-3-14-8(2)6-12(15)10-7-9(13)4-5-11(10)14/h4-7H,3H2,1-2H3
InChIKeyCORBBMSRNFDRQQ-UHFFFAOYSA-N
XLogP3.09
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-ethyl-2-methylquinolin-4-one?
The IUPAC name of 6-bromo-1-ethyl-2-methylquinolin-4-one (CID 16644466) is 6-bromo-1-ethyl-2-methylquinolin-4-one.
What is the SMILES notation for 6-bromo-1-ethyl-2-methylquinolin-4-one?
The canonical SMILES for 6-bromo-1-ethyl-2-methylquinolin-4-one is CCn1c(C)cc(=O)c2cc(Br)ccc21.
What is the InChIKey of 6-bromo-1-ethyl-2-methylquinolin-4-one?
The InChIKey is CORBBMSRNFDRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-3-14-8(2)6-12(15)10-7-9(13)4-5-11(10)14/h4-7H,3H2,1-2H3.
What are the key properties of 6-bromo-1-ethyl-2-methylquinolin-4-one?
6-bromo-1-ethyl-2-methylquinolin-4-one has a molecular weight of 266.14 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-ethyl-2-methylquinolin-4-one is sourced from PubChem (CID 16644466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).