(2,6-dimethylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone

C21H21N3O2 — CID 25163404

IUPAC(2,6-dimethylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CC(C)O1
InChIInChI=1S/C21H21N3O2/c1-14-12-24(13-15(2)26-14)21(25)18-11-20(16-7-9-22-10-8-16)23-19-6-4-3-5-17(18)19/h3-11,14-15H,12-13H2,1-2H3
InChIKeyJATWSFURJAEQLB-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.55
Rot. Bonds2

About (2,6-dimethylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone (PubChem CID 25163404) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
PubChem CID25163404
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CC(C)O1
InChIInChI=1S/C21H21N3O2/c1-14-12-24(13-15(2)26-14)21(25)18-11-20(16-7-9-22-10-8-16)23-19-6-4-3-5-17(18)19/h3-11,14-15H,12-13H2,1-2H3
InChIKeyJATWSFURJAEQLB-UHFFFAOYSA-N
XLogP3.55
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone (CID 25163404) is (2,6-dimethylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone is CC1CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone?
The InChIKey is JATWSFURJAEQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-12-24(13-15(2)26-14)21(25)18-11-20(16-7-9-22-10-8-16)23-19-6-4-3-5-17(18)19/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone is sourced from PubChem (CID 25163404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).