6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde

C13H13NO4 — CID 820649

IUPAC6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde
SMILESCOc1cc(OC)c2c(=O)n(C)c(C=O)cc2c1
InChIInChI=1S/C13H13NO4/c1-14-9(7-15)4-8-5-10(17-2)6-11(18-3)12(8)13(14)16/h4-7H,1-3H3
InChIKeyCUGNMWHCQQACBN-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.37
Rot. Bonds3

About 6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde

6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde (PubChem CID 820649) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde
PubChem CID820649
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde
SMILESCOc1cc(OC)c2c(=O)n(C)c(C=O)cc2c1
InChIInChI=1S/C13H13NO4/c1-14-9(7-15)4-8-5-10(17-2)6-11(18-3)12(8)13(14)16/h4-7H,1-3H3
InChIKeyCUGNMWHCQQACBN-UHFFFAOYSA-N
XLogP1.37
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-1,7-dimethylindole-2-carbaldehyde
CID 105455211
3-(4-hydroxy-3,5-dimethylphenyl)-6,8-dimethoxy-2-methylisoquinolin-1-one
CID 24957481
6-methoxy-1,5-dimethylindole-2-carbaldehyde
CID 105455209
3-(4-hydroxy-3,5-dimethylphenyl)-6,8-dimethoxy-2H-isoquinolin-1-one;3-(4-hydroxy-3,5-dimethylphenyl)-6,8-dimethoxy-2-methylisoquinolin-1-one
CID 162129096
2-(3-fluoro-4-hydroxyphenyl)-6,8-dimethoxyisoquinolin-1-one
CID 67465247
4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid
CID 73013811
2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde
CID 84640028
3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol
CID 10445415
3,5-dimethoxy-2-methylbenzaldehyde
CID 10214428
3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one
CID 84638829
3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid
CID 621352
6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde
CID 18802197

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde?
The IUPAC name of 6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde (CID 820649) is 6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde.
What is the SMILES notation for 6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde?
The canonical SMILES for 6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde is COc1cc(OC)c2c(=O)n(C)c(C=O)cc2c1.
What is the InChIKey of 6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde?
The InChIKey is CUGNMWHCQQACBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-14-9(7-15)4-8-5-10(17-2)6-11(18-3)12(8)13(14)16/h4-7H,1-3H3.
What are the key properties of 6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde?
6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde has a molecular weight of 247.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde is sourced from PubChem (CID 820649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).