2-methoxy-3,6,7,8-tetrahydro-2H-quinolin-5-one

C10H13NO2 — CID 123870394

IUPAC2-methoxy-3,6,7,8-tetrahydro-2H-quinolin-5-one
SMILESCOC1CC=C2C(=O)CCCC2=N1
InChIInChI=1S/C10H13NO2/c1-13-10-6-5-7-8(11-10)3-2-4-9(7)12/h5,10H,2-4,6H2,1H3
InChIKeySVIYZKUROHBIAG-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.48
Rot. Bonds1

About 2-methoxy-3,6,7,8-tetrahydro-2H-quinolin-5-one

2-methoxy-3,6,7,8-tetrahydro-2H-quinolin-5-one (PubChem CID 123870394) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-methoxy-3,6,7,8-tetrahydro-2H-quinolin-5-one.

Molecular Properties

Compound Name2-methoxy-3,6,7,8-tetrahydro-2H-quinolin-5-one
PubChem CID123870394
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-methoxy-3,6,7,8-tetrahydro-2H-quinolin-5-one
SMILESCOC1CC=C2C(=O)CCCC2=N1
InChIInChI=1S/C10H13NO2/c1-13-10-6-5-7-8(11-10)3-2-4-9(7)12/h5,10H,2-4,6H2,1H3
InChIKeySVIYZKUROHBIAG-UHFFFAOYSA-N
XLogP1.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6,7,8-tetrahydro-2H-quinolin-5-one
CID 123739950
4-methyl-3,6,7,8-tetrahydro-2H-quinolin-5-one
CID 123817138

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,6,7,8-tetrahydro-2H-quinolin-5-one?
The IUPAC name of 2-methoxy-3,6,7,8-tetrahydro-2H-quinolin-5-one (CID 123870394) is 2-methoxy-3,6,7,8-tetrahydro-2H-quinolin-5-one.
What is the SMILES notation for 2-methoxy-3,6,7,8-tetrahydro-2H-quinolin-5-one?
The canonical SMILES for 2-methoxy-3,6,7,8-tetrahydro-2H-quinolin-5-one is COC1CC=C2C(=O)CCCC2=N1.
What is the InChIKey of 2-methoxy-3,6,7,8-tetrahydro-2H-quinolin-5-one?
The InChIKey is SVIYZKUROHBIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-13-10-6-5-7-8(11-10)3-2-4-9(7)12/h5,10H,2-4,6H2,1H3.
What are the key properties of 2-methoxy-3,6,7,8-tetrahydro-2H-quinolin-5-one?
2-methoxy-3,6,7,8-tetrahydro-2H-quinolin-5-one has a molecular weight of 179.22 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,6,7,8-tetrahydro-2H-quinolin-5-one is sourced from PubChem (CID 123870394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).