7-methoxy-2,4,8,8a-tetrahydro-1H-quinolin-3-one

C10H13NO2 — CID 67935196

IUPAC7-methoxy-2,4,8,8a-tetrahydro-1H-quinolin-3-one
SMILESCOC1=CC=C2CC(=O)CNC2C1
InChIInChI=1S/C10H13NO2/c1-13-9-3-2-7-4-8(12)6-11-10(7)5-9/h2-3,10-11H,4-6H2,1H3
InChIKeyISQOQNQYGRLRJY-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.78
Rot. Bonds1

About 7-methoxy-2,4,8,8a-tetrahydro-1H-quinolin-3-one

7-methoxy-2,4,8,8a-tetrahydro-1H-quinolin-3-one (PubChem CID 67935196) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 7-methoxy-2,4,8,8a-tetrahydro-1H-quinolin-3-one.

Molecular Properties

Compound Name7-methoxy-2,4,8,8a-tetrahydro-1H-quinolin-3-one
PubChem CID67935196
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name7-methoxy-2,4,8,8a-tetrahydro-1H-quinolin-3-one
SMILESCOC1=CC=C2CC(=O)CNC2C1
InChIInChI=1S/C10H13NO2/c1-13-9-3-2-7-4-8(12)6-11-10(7)5-9/h2-3,10-11H,4-6H2,1H3
InChIKeyISQOQNQYGRLRJY-UHFFFAOYSA-N
XLogP0.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,4,8,8a-tetrahydro-1H-quinolin-3-one?
The IUPAC name of 7-methoxy-2,4,8,8a-tetrahydro-1H-quinolin-3-one (CID 67935196) is 7-methoxy-2,4,8,8a-tetrahydro-1H-quinolin-3-one.
What is the SMILES notation for 7-methoxy-2,4,8,8a-tetrahydro-1H-quinolin-3-one?
The canonical SMILES for 7-methoxy-2,4,8,8a-tetrahydro-1H-quinolin-3-one is COC1=CC=C2CC(=O)CNC2C1.
What is the InChIKey of 7-methoxy-2,4,8,8a-tetrahydro-1H-quinolin-3-one?
The InChIKey is ISQOQNQYGRLRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-13-9-3-2-7-4-8(12)6-11-10(7)5-9/h2-3,10-11H,4-6H2,1H3.
What are the key properties of 7-methoxy-2,4,8,8a-tetrahydro-1H-quinolin-3-one?
7-methoxy-2,4,8,8a-tetrahydro-1H-quinolin-3-one has a molecular weight of 179.22 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,4,8,8a-tetrahydro-1H-quinolin-3-one is sourced from PubChem (CID 67935196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).