6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde

C13H13NO4 — CID 18802197

IUPAC6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde
SMILESCOc1cc2cc(C=O)c(=O)n(C)c2cc1OC
InChIInChI=1S/C13H13NO4/c1-14-10-6-12(18-3)11(17-2)5-8(10)4-9(7-15)13(14)16/h4-7H,1-3H3
InChIKeyZKTDHTSZCNXVCS-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.37
Rot. Bonds3

About 6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde

6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde (PubChem CID 18802197) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde
PubChem CID18802197
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde
SMILESCOc1cc2cc(C=O)c(=O)n(C)c2cc1OC
InChIInChI=1S/C13H13NO4/c1-14-10-6-12(18-3)11(17-2)5-8(10)4-9(7-15)13(14)16/h4-7H,1-3H3
InChIKeyZKTDHTSZCNXVCS-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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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde?
The IUPAC name of 6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde (CID 18802197) is 6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde.
What is the SMILES notation for 6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde?
The canonical SMILES for 6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde is COc1cc2cc(C=O)c(=O)n(C)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde?
The InChIKey is ZKTDHTSZCNXVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-14-10-6-12(18-3)11(17-2)5-8(10)4-9(7-15)13(14)16/h4-7H,1-3H3.
What are the key properties of 6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde?
6,7-dimethoxy-1-methyl-2-oxoquinoline-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 6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde is sourced from PubChem (CID 18802197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).