6-ethoxy-2-methyl-1H-quinolin-4-one

C12H13NO2 — CID 730934

IUPAC6-ethoxy-2-methyl-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]c(C)cc(=O)c2c1
InChIInChI=1S/C12H13NO2/c1-3-15-9-4-5-11-10(7-9)12(14)6-8(2)13-11/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyXRQJZFPDCHMABR-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.24
Rot. Bonds2

About 6-ethoxy-2-methyl-1H-quinolin-4-one

6-ethoxy-2-methyl-1H-quinolin-4-one (PubChem CID 730934) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-ethoxy-2-methyl-1H-quinolin-4-one
PubChem CID730934
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name6-ethoxy-2-methyl-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]c(C)cc(=O)c2c1
InChIInChI=1S/C12H13NO2/c1-3-15-9-4-5-11-10(7-9)12(14)6-8(2)13-11/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyXRQJZFPDCHMABR-UHFFFAOYSA-N
XLogP2.24
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-1H-quinolin-4-one?
The IUPAC name of 6-ethoxy-2-methyl-1H-quinolin-4-one (CID 730934) is 6-ethoxy-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 6-ethoxy-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 6-ethoxy-2-methyl-1H-quinolin-4-one is CCOc1ccc2[nH]c(C)cc(=O)c2c1.
What is the InChIKey of 6-ethoxy-2-methyl-1H-quinolin-4-one?
The InChIKey is XRQJZFPDCHMABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-15-9-4-5-11-10(7-9)12(14)6-8(2)13-11/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of 6-ethoxy-2-methyl-1H-quinolin-4-one?
6-ethoxy-2-methyl-1H-quinolin-4-one has a molecular weight of 203.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 730934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).