2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one

C13H15NO2 — CID 62873006

IUPAC2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one
SMILESCCc1cc(=O)c2cc(OC)cc(C)c2[nH]1
InChIInChI=1S/C13H15NO2/c1-4-9-6-12(15)11-7-10(16-3)5-8(2)13(11)14-9/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyPCHLMOBOGLMVMR-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.41
Rot. Bonds2

About 2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one

2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one (PubChem CID 62873006) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one
PubChem CID62873006
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one
SMILESCCc1cc(=O)c2cc(OC)cc(C)c2[nH]1
InChIInChI=1S/C13H15NO2/c1-4-9-6-12(15)11-7-10(16-3)5-8(2)13(11)14-9/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyPCHLMOBOGLMVMR-UHFFFAOYSA-N
XLogP2.41
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one?
The IUPAC name of 2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one (CID 62873006) is 2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one is CCc1cc(=O)c2cc(OC)cc(C)c2[nH]1.
What is the InChIKey of 2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one?
The InChIKey is PCHLMOBOGLMVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-4-9-6-12(15)11-7-10(16-3)5-8(2)13(11)14-9/h5-7H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one?
2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one has a molecular weight of 217.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one is sourced from PubChem (CID 62873006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).