2-ethyl-1-methylquinolin-4-one

C12H13NO — CID 15733010

IUPAC2-ethyl-1-methylquinolin-4-one
SMILESCCc1cc(=O)c2ccccc2n1C
InChIInChI=1S/C12H13NO/c1-3-9-8-12(14)10-6-4-5-7-11(10)13(9)2/h4-8H,3H2,1-2H3
InChIKeyLOBSMKJJIZPJJE-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.10
Rot. Bonds1

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

2-ethyl-1-methylquinolin-4-one (PubChem CID 15733010) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-ethyl-1-methylquinolin-4-one.

Molecular Properties

Compound Name2-ethyl-1-methylquinolin-4-one
PubChem CID15733010
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-ethyl-1-methylquinolin-4-one
SMILESCCc1cc(=O)c2ccccc2n1C
InChIInChI=1S/C12H13NO/c1-3-9-8-12(14)10-6-4-5-7-11(10)13(9)2/h4-8H,3H2,1-2H3
InChIKeyLOBSMKJJIZPJJE-UHFFFAOYSA-N
XLogP2.10
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methylquinolin-4-one?
The IUPAC name of 2-ethyl-1-methylquinolin-4-one (CID 15733010) is 2-ethyl-1-methylquinolin-4-one.
What is the SMILES notation for 2-ethyl-1-methylquinolin-4-one?
The canonical SMILES for 2-ethyl-1-methylquinolin-4-one is CCc1cc(=O)c2ccccc2n1C.
What is the InChIKey of 2-ethyl-1-methylquinolin-4-one?
The InChIKey is LOBSMKJJIZPJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-9-8-12(14)10-6-4-5-7-11(10)13(9)2/h4-8H,3H2,1-2H3.
What are the key properties of 2-ethyl-1-methylquinolin-4-one?
2-ethyl-1-methylquinolin-4-one has a molecular weight of 187.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methylquinolin-4-one is sourced from PubChem (CID 15733010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).