4-quinazolin-4-ylmorpholine-2-carbonitrile

C13H12N4O — CID 78946478

IUPAC4-quinazolin-4-ylmorpholine-2-carbonitrile
SMILESN#CC1CN(c2ncnc3ccccc23)CCO1
InChIInChI=1S/C13H12N4O/c14-7-10-8-17(5-6-18-10)13-11-3-1-2-4-12(11)15-9-16-13/h1-4,9-10H,5-6,8H2
InChIKeyACCSUDLPHXPHOR-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.36
Rot. Bonds1

About 4-quinazolin-4-ylmorpholine-2-carbonitrile

4-quinazolin-4-ylmorpholine-2-carbonitrile (PubChem CID 78946478) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-quinazolin-4-ylmorpholine-2-carbonitrile.

Molecular Properties

Compound Name4-quinazolin-4-ylmorpholine-2-carbonitrile
PubChem CID78946478
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-quinazolin-4-ylmorpholine-2-carbonitrile
SMILESN#CC1CN(c2ncnc3ccccc23)CCO1
InChIInChI=1S/C13H12N4O/c14-7-10-8-17(5-6-18-10)13-11-3-1-2-4-12(11)15-9-16-13/h1-4,9-10H,5-6,8H2
InChIKeyACCSUDLPHXPHOR-UHFFFAOYSA-N
XLogP1.36
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-quinazolin-4-ylmorpholine-2-carbonitrile?
The IUPAC name of 4-quinazolin-4-ylmorpholine-2-carbonitrile (CID 78946478) is 4-quinazolin-4-ylmorpholine-2-carbonitrile.
What is the SMILES notation for 4-quinazolin-4-ylmorpholine-2-carbonitrile?
The canonical SMILES for 4-quinazolin-4-ylmorpholine-2-carbonitrile is N#CC1CN(c2ncnc3ccccc23)CCO1.
What is the InChIKey of 4-quinazolin-4-ylmorpholine-2-carbonitrile?
The InChIKey is ACCSUDLPHXPHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-7-10-8-17(5-6-18-10)13-11-3-1-2-4-12(11)15-9-16-13/h1-4,9-10H,5-6,8H2.
What are the key properties of 4-quinazolin-4-ylmorpholine-2-carbonitrile?
4-quinazolin-4-ylmorpholine-2-carbonitrile has a molecular weight of 240.27 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinazolin-4-ylmorpholine-2-carbonitrile is sourced from PubChem (CID 78946478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).