4-benzyl-2-[(2-methylquinazolin-4-yl)oxymethyl]morpholine

C21H23N3O2 — CID 4882479

IUPAC4-benzyl-2-[(2-methylquinazolin-4-yl)oxymethyl]morpholine
SMILESCc1nc(OCC2CN(Cc3ccccc3)CCO2)c2ccccc2n1
InChIInChI=1S/C21H23N3O2/c1-16-22-20-10-6-5-9-19(20)21(23-16)26-15-18-14-24(11-12-25-18)13-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3
InChIKeyOGDXAHVIFJVNNM-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.22
Rot. Bonds5

About 4-benzyl-2-[(2-methylquinazolin-4-yl)oxymethyl]morpholine

4-benzyl-2-[(2-methylquinazolin-4-yl)oxymethyl]morpholine (PubChem CID 4882479) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-benzyl-2-[(2-methylquinazolin-4-yl)oxymethyl]morpholine.

Molecular Properties

Compound Name4-benzyl-2-[(2-methylquinazolin-4-yl)oxymethyl]morpholine
PubChem CID4882479
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-benzyl-2-[(2-methylquinazolin-4-yl)oxymethyl]morpholine
SMILESCc1nc(OCC2CN(Cc3ccccc3)CCO2)c2ccccc2n1
InChIInChI=1S/C21H23N3O2/c1-16-22-20-10-6-5-9-19(20)21(23-16)26-15-18-14-24(11-12-25-18)13-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3
InChIKeyOGDXAHVIFJVNNM-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(2-methylquinazolin-4-yl)oxymethyl]morpholine?
The IUPAC name of 4-benzyl-2-[(2-methylquinazolin-4-yl)oxymethyl]morpholine (CID 4882479) is 4-benzyl-2-[(2-methylquinazolin-4-yl)oxymethyl]morpholine.
What is the SMILES notation for 4-benzyl-2-[(2-methylquinazolin-4-yl)oxymethyl]morpholine?
The canonical SMILES for 4-benzyl-2-[(2-methylquinazolin-4-yl)oxymethyl]morpholine is Cc1nc(OCC2CN(Cc3ccccc3)CCO2)c2ccccc2n1.
What is the InChIKey of 4-benzyl-2-[(2-methylquinazolin-4-yl)oxymethyl]morpholine?
The InChIKey is OGDXAHVIFJVNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16-22-20-10-6-5-9-19(20)21(23-16)26-15-18-14-24(11-12-25-18)13-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3.
What are the key properties of 4-benzyl-2-[(2-methylquinazolin-4-yl)oxymethyl]morpholine?
4-benzyl-2-[(2-methylquinazolin-4-yl)oxymethyl]morpholine has a molecular weight of 349.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[(2-methylquinazolin-4-yl)oxymethyl]morpholine is sourced from PubChem (CID 4882479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).