4-[[1-(quinazolin-2-yloxymethyl)cyclopropyl]methyl]morpholine

C17H21N3O2 — CID 175794891

IUPAC4-[[1-(quinazolin-2-yloxymethyl)cyclopropyl]methyl]morpholine
SMILESc1ccc2nc(OCC3(CN4CCOCC4)CC3)ncc2c1
InChIInChI=1S/C17H21N3O2/c1-2-4-15-14(3-1)11-18-16(19-15)22-13-17(5-6-17)12-20-7-9-21-10-8-20/h1-4,11H,5-10,12-13H2
InChIKeyWTBMRINISGXZNU-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.12
Rot. Bonds5

About 4-[[1-(quinazolin-2-yloxymethyl)cyclopropyl]methyl]morpholine

4-[[1-(quinazolin-2-yloxymethyl)cyclopropyl]methyl]morpholine (PubChem CID 175794891) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[[1-(quinazolin-2-yloxymethyl)cyclopropyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(quinazolin-2-yloxymethyl)cyclopropyl]methyl]morpholine
PubChem CID175794891
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-[[1-(quinazolin-2-yloxymethyl)cyclopropyl]methyl]morpholine
SMILESc1ccc2nc(OCC3(CN4CCOCC4)CC3)ncc2c1
InChIInChI=1S/C17H21N3O2/c1-2-4-15-14(3-1)11-18-16(19-15)22-13-17(5-6-17)12-20-7-9-21-10-8-20/h1-4,11H,5-10,12-13H2
InChIKeyWTBMRINISGXZNU-UHFFFAOYSA-N
XLogP2.12
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(quinazolin-2-yloxymethyl)cyclopropyl]methyl]morpholine?
The IUPAC name of 4-[[1-(quinazolin-2-yloxymethyl)cyclopropyl]methyl]morpholine (CID 175794891) is 4-[[1-(quinazolin-2-yloxymethyl)cyclopropyl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(quinazolin-2-yloxymethyl)cyclopropyl]methyl]morpholine?
The canonical SMILES for 4-[[1-(quinazolin-2-yloxymethyl)cyclopropyl]methyl]morpholine is c1ccc2nc(OCC3(CN4CCOCC4)CC3)ncc2c1.
What is the InChIKey of 4-[[1-(quinazolin-2-yloxymethyl)cyclopropyl]methyl]morpholine?
The InChIKey is WTBMRINISGXZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-4-15-14(3-1)11-18-16(19-15)22-13-17(5-6-17)12-20-7-9-21-10-8-20/h1-4,11H,5-10,12-13H2.
What are the key properties of 4-[[1-(quinazolin-2-yloxymethyl)cyclopropyl]methyl]morpholine?
4-[[1-(quinazolin-2-yloxymethyl)cyclopropyl]methyl]morpholine has a molecular weight of 299.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(quinazolin-2-yloxymethyl)cyclopropyl]methyl]morpholine is sourced from PubChem (CID 175794891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).