8-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-5-carbaldehyde

C13H15NO3 — CID 91195550

IUPAC8-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-5-carbaldehyde
SMILESCOCCc1ccc(C=O)c2c1NC(=O)CC2
InChIInChI=1S/C13H15NO3/c1-17-7-6-9-2-3-10(8-15)11-4-5-12(16)14-13(9)11/h2-3,8H,4-7H2,1H3,(H,14,16)
InChIKeyKGJCVFOARJEKDX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.57
Rot. Bonds4

About 8-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-5-carbaldehyde

8-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-5-carbaldehyde (PubChem CID 91195550) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-5-carbaldehyde.

Molecular Properties

Compound Name8-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-5-carbaldehyde
PubChem CID91195550
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name8-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-5-carbaldehyde
SMILESCOCCc1ccc(C=O)c2c1NC(=O)CC2
InChIInChI=1S/C13H15NO3/c1-17-7-6-9-2-3-10(8-15)11-4-5-12(16)14-13(9)11/h2-3,8H,4-7H2,1H3,(H,14,16)
InChIKeyKGJCVFOARJEKDX-UHFFFAOYSA-N
XLogP1.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-5-carbaldehyde?
The IUPAC name of 8-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-5-carbaldehyde (CID 91195550) is 8-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-5-carbaldehyde.
What is the SMILES notation for 8-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-5-carbaldehyde?
The canonical SMILES for 8-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-5-carbaldehyde is COCCc1ccc(C=O)c2c1NC(=O)CC2.
What is the InChIKey of 8-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-5-carbaldehyde?
The InChIKey is KGJCVFOARJEKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-17-7-6-9-2-3-10(8-15)11-4-5-12(16)14-13(9)11/h2-3,8H,4-7H2,1H3,(H,14,16).
What are the key properties of 8-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-5-carbaldehyde?
8-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-5-carbaldehyde has a molecular weight of 233.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-5-carbaldehyde is sourced from PubChem (CID 91195550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).