1-(2,6-dimethylmorpholin-4-yl)-2-quinazolin-4-yloxyethanone

C16H19N3O3 — CID 4875068

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-quinazolin-4-yloxyethanone
SMILESCC1CN(C(=O)COc2ncnc3ccccc23)CC(C)O1
InChIInChI=1S/C16H19N3O3/c1-11-7-19(8-12(2)22-11)15(20)9-21-16-13-5-3-4-6-14(13)17-10-18-16/h3-6,10-12H,7-9H2,1-2H3
InChIKeyDUNLBNKKNFNJBO-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.64
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)-2-quinazolin-4-yloxyethanone

1-(2,6-dimethylmorpholin-4-yl)-2-quinazolin-4-yloxyethanone (PubChem CID 4875068) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-quinazolin-4-yloxyethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-quinazolin-4-yloxyethanone
PubChem CID4875068
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-quinazolin-4-yloxyethanone
SMILESCC1CN(C(=O)COc2ncnc3ccccc23)CC(C)O1
InChIInChI=1S/C16H19N3O3/c1-11-7-19(8-12(2)22-11)15(20)9-21-16-13-5-3-4-6-14(13)17-10-18-16/h3-6,10-12H,7-9H2,1-2H3
InChIKeyDUNLBNKKNFNJBO-UHFFFAOYSA-N
XLogP1.64
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-quinazolin-4-yloxyethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-quinazolin-4-yloxyethanone (CID 4875068) is 1-(2,6-dimethylmorpholin-4-yl)-2-quinazolin-4-yloxyethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-quinazolin-4-yloxyethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-quinazolin-4-yloxyethanone is CC1CN(C(=O)COc2ncnc3ccccc23)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-quinazolin-4-yloxyethanone?
The InChIKey is DUNLBNKKNFNJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-7-19(8-12(2)22-11)15(20)9-21-16-13-5-3-4-6-14(13)17-10-18-16/h3-6,10-12H,7-9H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-quinazolin-4-yloxyethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-quinazolin-4-yloxyethanone has a molecular weight of 301.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-quinazolin-4-yloxyethanone is sourced from PubChem (CID 4875068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).