1,2,3-trimethoxyquinolin-4-one

C12H13NO4 — CID 174279293

IUPAC1,2,3-trimethoxyquinolin-4-one
SMILESCOc1c(OC)n(OC)c2ccccc2c1=O
InChIInChI=1S/C12H13NO4/c1-15-11-10(14)8-6-4-5-7-9(8)13(17-3)12(11)16-2/h4-7H,1-3H3
InChIKeyXCVJUOTZZURXMT-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.08
Rot. Bonds3

About 1,2,3-trimethoxyquinolin-4-one

1,2,3-trimethoxyquinolin-4-one (PubChem CID 174279293) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1,2,3-trimethoxyquinolin-4-one.

Molecular Properties

Compound Name1,2,3-trimethoxyquinolin-4-one
PubChem CID174279293
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name1,2,3-trimethoxyquinolin-4-one
SMILESCOc1c(OC)n(OC)c2ccccc2c1=O
InChIInChI=1S/C12H13NO4/c1-15-11-10(14)8-6-4-5-7-9(8)13(17-3)12(11)16-2/h4-7H,1-3H3
InChIKeyXCVJUOTZZURXMT-UHFFFAOYSA-N
XLogP1.08
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Heptyl-3-hydroxy-4-quinolone
CID 2763159
2-heptyl-4-hydroxyquinoline N-oxide
CID 1561
2-Nonyl-4-hydroxyquinoline N-oxide
CID 130804
1-hydroxy-2-dodecyl-4(1H)quinolone
CID 600305
YM-30059
CID 9851626
3-Hydroxy-2-methyl-1,4-dihydroquinolin-4-one
CID 440982
3-hydroxy-1,2-dimethylquinolin-4(1H)-one
CID 9549928
1-hydroxy-2-[(Z)-undec-4-enyl]quinolin-4-one
CID 162652454
3-methoxy-2-methyl-5-octyl-1H-quinolin-4-one
CID 162656868
2-[(E)-hept-2-enyl]-1-hydroxy-3-methylquinolin-4-one
CID 9903566
3-Methoxy-1-methyl-2-propyl-4(1H)-quinolinone
CID 131525
4(1H)-Quinolinone, 3-methoxy-1-methyl-
CID 605012

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxyquinolin-4-one?
The IUPAC name of 1,2,3-trimethoxyquinolin-4-one (CID 174279293) is 1,2,3-trimethoxyquinolin-4-one.
What is the SMILES notation for 1,2,3-trimethoxyquinolin-4-one?
The canonical SMILES for 1,2,3-trimethoxyquinolin-4-one is COc1c(OC)n(OC)c2ccccc2c1=O.
What is the InChIKey of 1,2,3-trimethoxyquinolin-4-one?
The InChIKey is XCVJUOTZZURXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-15-11-10(14)8-6-4-5-7-9(8)13(17-3)12(11)16-2/h4-7H,1-3H3.
What are the key properties of 1,2,3-trimethoxyquinolin-4-one?
1,2,3-trimethoxyquinolin-4-one has a molecular weight of 235.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxyquinolin-4-one is sourced from PubChem (CID 174279293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).