4-[2-[6-(3-methylphenyl)quinazolin-2-yl]oxyethyl]morpholine

C21H23N3O2 — CID 90689533

IUPAC4-[2-[6-(3-methylphenyl)quinazolin-2-yl]oxyethyl]morpholine
SMILESCc1cccc(-c2ccc3nc(OCCN4CCOCC4)ncc3c2)c1
InChIInChI=1S/C21H23N3O2/c1-16-3-2-4-17(13-16)18-5-6-20-19(14-18)15-22-21(23-20)26-12-9-24-7-10-25-11-8-24/h2-6,13-15H,7-12H2,1H3
InChIKeyGSYLGXVIYZGFLI-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.32
Rot. Bonds5

About 4-[2-[6-(3-methylphenyl)quinazolin-2-yl]oxyethyl]morpholine

4-[2-[6-(3-methylphenyl)quinazolin-2-yl]oxyethyl]morpholine (PubChem CID 90689533) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[2-[6-(3-methylphenyl)quinazolin-2-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[6-(3-methylphenyl)quinazolin-2-yl]oxyethyl]morpholine
PubChem CID90689533
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-[2-[6-(3-methylphenyl)quinazolin-2-yl]oxyethyl]morpholine
SMILESCc1cccc(-c2ccc3nc(OCCN4CCOCC4)ncc3c2)c1
InChIInChI=1S/C21H23N3O2/c1-16-3-2-4-17(13-16)18-5-6-20-19(14-18)15-22-21(23-20)26-12-9-24-7-10-25-11-8-24/h2-6,13-15H,7-12H2,1H3
InChIKeyGSYLGXVIYZGFLI-UHFFFAOYSA-N
XLogP3.32
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(3-methylphenyl)quinazolin-2-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[6-(3-methylphenyl)quinazolin-2-yl]oxyethyl]morpholine (CID 90689533) is 4-[2-[6-(3-methylphenyl)quinazolin-2-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[6-(3-methylphenyl)quinazolin-2-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[6-(3-methylphenyl)quinazolin-2-yl]oxyethyl]morpholine is Cc1cccc(-c2ccc3nc(OCCN4CCOCC4)ncc3c2)c1.
What is the InChIKey of 4-[2-[6-(3-methylphenyl)quinazolin-2-yl]oxyethyl]morpholine?
The InChIKey is GSYLGXVIYZGFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16-3-2-4-17(13-16)18-5-6-20-19(14-18)15-22-21(23-20)26-12-9-24-7-10-25-11-8-24/h2-6,13-15H,7-12H2,1H3.
What are the key properties of 4-[2-[6-(3-methylphenyl)quinazolin-2-yl]oxyethyl]morpholine?
4-[2-[6-(3-methylphenyl)quinazolin-2-yl]oxyethyl]morpholine has a molecular weight of 349.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(3-methylphenyl)quinazolin-2-yl]oxyethyl]morpholine is sourced from PubChem (CID 90689533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).