3-amino-7-(oxan-4-yl)quinoline-2-carbaldehyde

C15H16N2O2 — CID 130442131

IUPAC3-amino-7-(oxan-4-yl)quinoline-2-carbaldehyde
SMILESNc1cc2ccc(C3CCOCC3)cc2nc1C=O
InChIInChI=1S/C15H16N2O2/c16-13-7-12-2-1-11(10-3-5-19-6-4-10)8-14(12)17-15(13)9-18/h1-2,7-10H,3-6,16H2
InChIKeyQWYFGOHJGAGOEE-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.52
Rot. Bonds2

About 3-amino-7-(oxan-4-yl)quinoline-2-carbaldehyde

3-amino-7-(oxan-4-yl)quinoline-2-carbaldehyde (PubChem CID 130442131) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-amino-7-(oxan-4-yl)quinoline-2-carbaldehyde.

Molecular Properties

Compound Name3-amino-7-(oxan-4-yl)quinoline-2-carbaldehyde
PubChem CID130442131
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name3-amino-7-(oxan-4-yl)quinoline-2-carbaldehyde
SMILESNc1cc2ccc(C3CCOCC3)cc2nc1C=O
InChIInChI=1S/C15H16N2O2/c16-13-7-12-2-1-11(10-3-5-19-6-4-10)8-14(12)17-15(13)9-18/h1-2,7-10H,3-6,16H2
InChIKeyQWYFGOHJGAGOEE-UHFFFAOYSA-N
XLogP2.52
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-7-(oxan-4-yl)quinoline-2-carbaldehyde 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 3-amino-7-(oxan-4-yl)quinoline-2-carbaldehyde?
The IUPAC name of 3-amino-7-(oxan-4-yl)quinoline-2-carbaldehyde (CID 130442131) is 3-amino-7-(oxan-4-yl)quinoline-2-carbaldehyde.
What is the SMILES notation for 3-amino-7-(oxan-4-yl)quinoline-2-carbaldehyde?
The canonical SMILES for 3-amino-7-(oxan-4-yl)quinoline-2-carbaldehyde is Nc1cc2ccc(C3CCOCC3)cc2nc1C=O.
What is the InChIKey of 3-amino-7-(oxan-4-yl)quinoline-2-carbaldehyde?
The InChIKey is QWYFGOHJGAGOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-13-7-12-2-1-11(10-3-5-19-6-4-10)8-14(12)17-15(13)9-18/h1-2,7-10H,3-6,16H2.
What are the key properties of 3-amino-7-(oxan-4-yl)quinoline-2-carbaldehyde?
3-amino-7-(oxan-4-yl)quinoline-2-carbaldehyde has a molecular weight of 256.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-(oxan-4-yl)quinoline-2-carbaldehyde is sourced from PubChem (CID 130442131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).