6-ethoxy-1-methyl-2,3-dihydroquinolin-4-one

C12H15NO2 — CID 82396270

IUPAC6-ethoxy-1-methyl-2,3-dihydroquinolin-4-one
SMILESCCOc1ccc2c(c1)C(=O)CCN2C
InChIInChI=1S/C12H15NO2/c1-3-15-9-4-5-11-10(8-9)12(14)6-7-13(11)2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyFMNTZKYZOGRIFR-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.11
Rot. Bonds2

About 6-ethoxy-1-methyl-2,3-dihydroquinolin-4-one

6-ethoxy-1-methyl-2,3-dihydroquinolin-4-one (PubChem CID 82396270) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-ethoxy-1-methyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name6-ethoxy-1-methyl-2,3-dihydroquinolin-4-one
PubChem CID82396270
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name6-ethoxy-1-methyl-2,3-dihydroquinolin-4-one
SMILESCCOc1ccc2c(c1)C(=O)CCN2C
InChIInChI=1S/C12H15NO2/c1-3-15-9-4-5-11-10(8-9)12(14)6-7-13(11)2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyFMNTZKYZOGRIFR-UHFFFAOYSA-N
XLogP2.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-methyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 6-ethoxy-1-methyl-2,3-dihydroquinolin-4-one (CID 82396270) is 6-ethoxy-1-methyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 6-ethoxy-1-methyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 6-ethoxy-1-methyl-2,3-dihydroquinolin-4-one is CCOc1ccc2c(c1)C(=O)CCN2C.
What is the InChIKey of 6-ethoxy-1-methyl-2,3-dihydroquinolin-4-one?
The InChIKey is FMNTZKYZOGRIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-15-9-4-5-11-10(8-9)12(14)6-7-13(11)2/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 6-ethoxy-1-methyl-2,3-dihydroquinolin-4-one?
6-ethoxy-1-methyl-2,3-dihydroquinolin-4-one has a molecular weight of 205.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-methyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 82396270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).