4-ethoxy-6-methoxy-4aH-quinolin-2-one

C12H13NO3 — CID 78261724

IUPAC4-ethoxy-6-methoxy-4aH-quinolin-2-one
SMILESCCOC1=CC(=O)N=C2C=CC(OC)=CC12
InChIInChI=1S/C12H13NO3/c1-3-16-11-7-12(14)13-10-5-4-8(15-2)6-9(10)11/h4-7,9H,3H2,1-2H3
InChIKeyVHCPGJPIHLXABA-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.60
Rot. Bonds3

About 4-ethoxy-6-methoxy-4aH-quinolin-2-one

4-ethoxy-6-methoxy-4aH-quinolin-2-one (PubChem CID 78261724) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-ethoxy-6-methoxy-4aH-quinolin-2-one.

Molecular Properties

Compound Name4-ethoxy-6-methoxy-4aH-quinolin-2-one
PubChem CID78261724
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name4-ethoxy-6-methoxy-4aH-quinolin-2-one
SMILESCCOC1=CC(=O)N=C2C=CC(OC)=CC12
InChIInChI=1S/C12H13NO3/c1-3-16-11-7-12(14)13-10-5-4-8(15-2)6-9(10)11/h4-7,9H,3H2,1-2H3
InChIKeyVHCPGJPIHLXABA-UHFFFAOYSA-N
XLogP1.60
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethylfuro[3,2-g]quinolin-7-one
CID 129782358
Furo[3,2-g]quinolin-7-one
CID 129869574
6-Methoxybenzazepin-2-one
CID 20137812
5-Ethoxyindol-2-one
CID 23212399
[1,4]Dioxino[2,3-e]indol-8-one
CID 69189548
5-Butoxyindol-2-one
CID 70354099
Pyrano[3,2-g]quinolin-8-one
CID 91526879
2-methyl-2H-furo[2,3-f]quinolin-7-one
CID 139944555
2H-pyrano[2,3-e]indol-8-one
CID 140976849
7-(4-bromobutoxy)-4aH-quinolin-2-one
CID 45038437
7-(3-bromopropoxy)-4aH-quinolin-2-one
CID 45038463
4-methoxy-4aH-quinolin-2-one
CID 45074627

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methoxy-4aH-quinolin-2-one?
The IUPAC name of 4-ethoxy-6-methoxy-4aH-quinolin-2-one (CID 78261724) is 4-ethoxy-6-methoxy-4aH-quinolin-2-one.
What is the SMILES notation for 4-ethoxy-6-methoxy-4aH-quinolin-2-one?
The canonical SMILES for 4-ethoxy-6-methoxy-4aH-quinolin-2-one is CCOC1=CC(=O)N=C2C=CC(OC)=CC12.
What is the InChIKey of 4-ethoxy-6-methoxy-4aH-quinolin-2-one?
The InChIKey is VHCPGJPIHLXABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-3-16-11-7-12(14)13-10-5-4-8(15-2)6-9(10)11/h4-7,9H,3H2,1-2H3.
What are the key properties of 4-ethoxy-6-methoxy-4aH-quinolin-2-one?
4-ethoxy-6-methoxy-4aH-quinolin-2-one has a molecular weight of 219.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methoxy-4aH-quinolin-2-one is sourced from PubChem (CID 78261724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).