4-[(5,6-dimethyl-7-oxo-8H-1,8-naphthyridin-2-yl)oxy]butanal

C14H16N2O3 — CID 21073354

IUPAC4-[(5,6-dimethyl-7-oxo-8H-1,8-naphthyridin-2-yl)oxy]butanal
SMILESCc1c(C)c2ccc(OCCCC=O)nc2[nH]c1=O
InChIInChI=1S/C14H16N2O3/c1-9-10(2)14(18)16-13-11(9)5-6-12(15-13)19-8-4-3-7-17/h5-7H,3-4,8H2,1-2H3,(H,15,16,18)
InChIKeyXGGBPKMMKKRDQS-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.90
Rot. Bonds5

About 4-[(5,6-dimethyl-7-oxo-8H-1,8-naphthyridin-2-yl)oxy]butanal

4-[(5,6-dimethyl-7-oxo-8H-1,8-naphthyridin-2-yl)oxy]butanal (PubChem CID 21073354) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-7-oxo-8H-1,8-naphthyridin-2-yl)oxy]butanal.

Molecular Properties

Compound Name4-[(5,6-dimethyl-7-oxo-8H-1,8-naphthyridin-2-yl)oxy]butanal
PubChem CID21073354
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-[(5,6-dimethyl-7-oxo-8H-1,8-naphthyridin-2-yl)oxy]butanal
SMILESCc1c(C)c2ccc(OCCCC=O)nc2[nH]c1=O
InChIInChI=1S/C14H16N2O3/c1-9-10(2)14(18)16-13-11(9)5-6-12(15-13)19-8-4-3-7-17/h5-7H,3-4,8H2,1-2H3,(H,15,16,18)
InChIKeyXGGBPKMMKKRDQS-UHFFFAOYSA-N
XLogP1.90
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(5,6-dimethyl-7-oxo-8H-1,8-naphthyridin-2-yl)oxy]butanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethyl-7-oxo-8H-1,8-naphthyridin-2-yl)oxy]butanal?
The IUPAC name of 4-[(5,6-dimethyl-7-oxo-8H-1,8-naphthyridin-2-yl)oxy]butanal (CID 21073354) is 4-[(5,6-dimethyl-7-oxo-8H-1,8-naphthyridin-2-yl)oxy]butanal.
What is the SMILES notation for 4-[(5,6-dimethyl-7-oxo-8H-1,8-naphthyridin-2-yl)oxy]butanal?
The canonical SMILES for 4-[(5,6-dimethyl-7-oxo-8H-1,8-naphthyridin-2-yl)oxy]butanal is Cc1c(C)c2ccc(OCCCC=O)nc2[nH]c1=O.
What is the InChIKey of 4-[(5,6-dimethyl-7-oxo-8H-1,8-naphthyridin-2-yl)oxy]butanal?
The InChIKey is XGGBPKMMKKRDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-10(2)14(18)16-13-11(9)5-6-12(15-13)19-8-4-3-7-17/h5-7H,3-4,8H2,1-2H3,(H,15,16,18).
What are the key properties of 4-[(5,6-dimethyl-7-oxo-8H-1,8-naphthyridin-2-yl)oxy]butanal?
4-[(5,6-dimethyl-7-oxo-8H-1,8-naphthyridin-2-yl)oxy]butanal has a molecular weight of 260.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethyl-7-oxo-8H-1,8-naphthyridin-2-yl)oxy]butanal is sourced from PubChem (CID 21073354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).