4-((7-Oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)oxy)butanal

HCID 21073377

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=CCCCOc1ccc2c(n1)NC(=O)CC2
InChIKey: BREPUDXOUXBJPL-UHFFFAOYSA-N
Molecular formula: C12H14N2O3
Average molar mass: 234.25 g/mol

Names & identifiers

Preferred name: 4-((7-Oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)oxy)butanal
IUPAC: 4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butanal

Names & synonyms

4-((7-Oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)oxy)butanal846031-27-4SCHEMBL2556846BREPUDXOUXBJPL-UHFFFAOYSA-N4-(7-oxo-5,6,7,8-tetrahydro-[1,8]-naphthyridin-2-yloxy)-butyraldehyde4-(7-oxo-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yloxy)-butyraldehyde

Database identifiers

PubChem CID: 21073377

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 68.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 283

Related reactions

39 records

New reaction record

HRID 174872As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 184611As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 188272As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 197760As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 316946As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 664299As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 678170As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 821567As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

Loading…