2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-quinolin-8-ylpyridine-3-carbaldehyde

C21H21N3O2 — CID 86655627

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-quinolin-8-ylpyridine-3-carbaldehyde
SMILESC[C@@H]1CN(c2ncc(-c3cccc4cccnc34)cc2C=O)C[C@H](C)O1
InChIInChI=1S/C21H21N3O2/c1-14-11-24(12-15(2)26-14)21-18(13-25)9-17(10-23-21)19-7-3-5-16-6-4-8-22-20(16)19/h3-10,13-15H,11-12H2,1-2H3/t14-,15+
InChIKeyJTAXKCMBVYNRGO-GASCZTMLSA-N
MW347.42 g/mol
LogP3.72
Rot. Bonds3

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-quinolin-8-ylpyridine-3-carbaldehyde

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-quinolin-8-ylpyridine-3-carbaldehyde (PubChem CID 86655627) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-quinolin-8-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-quinolin-8-ylpyridine-3-carbaldehyde
PubChem CID86655627
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-quinolin-8-ylpyridine-3-carbaldehyde
SMILESC[C@@H]1CN(c2ncc(-c3cccc4cccnc34)cc2C=O)C[C@H](C)O1
InChIInChI=1S/C21H21N3O2/c1-14-11-24(12-15(2)26-14)21-18(13-25)9-17(10-23-21)19-7-3-5-16-6-4-8-22-20(16)19/h3-10,13-15H,11-12H2,1-2H3/t14-,15+
InChIKeyJTAXKCMBVYNRGO-GASCZTMLSA-N
XLogP3.72
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-quinolin-8-ylpyridine-3-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 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-quinolin-8-ylpyridine-3-carbaldehyde?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-quinolin-8-ylpyridine-3-carbaldehyde (CID 86655627) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-quinolin-8-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-quinolin-8-ylpyridine-3-carbaldehyde?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-quinolin-8-ylpyridine-3-carbaldehyde is C[C@@H]1CN(c2ncc(-c3cccc4cccnc34)cc2C=O)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-quinolin-8-ylpyridine-3-carbaldehyde?
The InChIKey is JTAXKCMBVYNRGO-GASCZTMLSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-11-24(12-15(2)26-14)21-18(13-25)9-17(10-23-21)19-7-3-5-16-6-4-8-22-20(16)19/h3-10,13-15H,11-12H2,1-2H3/t14-,15+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-quinolin-8-ylpyridine-3-carbaldehyde?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-quinolin-8-ylpyridine-3-carbaldehyde has a molecular weight of 347.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-quinolin-8-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 86655627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).