2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)acetaldehyde

C13H13NO3 — CID 59397837

IUPAC2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)acetaldehyde
SMILESCOc1ccc2c(C)cc(=O)n(CC=O)c2c1
InChIInChI=1S/C13H13NO3/c1-9-7-13(16)14(5-6-15)12-8-10(17-2)3-4-11(9)12/h3-4,6-8H,5H2,1-2H3
InChIKeyXMVXDGIULLGRTP-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.52
Rot. Bonds3

About 2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)acetaldehyde

2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)acetaldehyde (PubChem CID 59397837) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)acetaldehyde
PubChem CID59397837
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)acetaldehyde
SMILESCOc1ccc2c(C)cc(=O)n(CC=O)c2c1
InChIInChI=1S/C13H13NO3/c1-9-7-13(16)14(5-6-15)12-8-10(17-2)3-4-11(9)12/h3-4,6-8H,5H2,1-2H3
InChIKeyXMVXDGIULLGRTP-UHFFFAOYSA-N
XLogP1.52
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)acetaldehyde?
The IUPAC name of 2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)acetaldehyde (CID 59397837) is 2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)acetaldehyde?
The canonical SMILES for 2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)acetaldehyde is COc1ccc2c(C)cc(=O)n(CC=O)c2c1.
What is the InChIKey of 2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)acetaldehyde?
The InChIKey is XMVXDGIULLGRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-9-7-13(16)14(5-6-15)12-8-10(17-2)3-4-11(9)12/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)acetaldehyde?
2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)acetaldehyde has a molecular weight of 231.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)acetaldehyde is sourced from PubChem (CID 59397837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).