5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one

C12H15NO4 — CID 82159265

IUPAC5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc(OC)c(OC)c2c1CCC(=O)N2
InChIInChI=1S/C12H15NO4/c1-15-8-6-9(16-2)12(17-3)11-7(8)4-5-10(14)13-11/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyMOISNGHWYKVDRL-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.60
Rot. Bonds3

About 5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one

5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82159265) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID82159265
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc(OC)c(OC)c2c1CCC(=O)N2
InChIInChI=1S/C12H15NO4/c1-15-8-6-9(16-2)12(17-3)11-7(8)4-5-10(14)13-11/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyMOISNGHWYKVDRL-UHFFFAOYSA-N
XLogP1.60
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 82159265) is 5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc(OC)c(OC)c2c1CCC(=O)N2.
What is the InChIKey of 5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MOISNGHWYKVDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-15-8-6-9(16-2)12(17-3)11-7(8)4-5-10(14)13-11/h6H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 237.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82159265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).