1-(2-morpholin-4-ylethyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one

C22H21N3O3 — CID 71602633

IUPAC1-(2-morpholin-4-ylethyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)c2oc3ccccc3c2n1CCN1CCOCC1
InChIInChI=1S/C22H21N3O3/c26-22-23-19(16-6-2-1-3-7-16)21-20(17-8-4-5-9-18(17)28-21)25(22)11-10-24-12-14-27-15-13-24/h1-9H,10-15H2
InChIKeyXZGNFTVMWRWGAX-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.14
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one

1-(2-morpholin-4-ylethyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one (PubChem CID 71602633) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one
PubChem CID71602633
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name1-(2-morpholin-4-ylethyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)c2oc3ccccc3c2n1CCN1CCOCC1
InChIInChI=1S/C22H21N3O3/c26-22-23-19(16-6-2-1-3-7-16)21-20(17-8-4-5-9-18(17)28-21)25(22)11-10-24-12-14-27-15-13-24/h1-9H,10-15H2
InChIKeyXZGNFTVMWRWGAX-UHFFFAOYSA-N
XLogP3.14
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one (CID 71602633) is 1-(2-morpholin-4-ylethyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one is O=c1nc(-c2ccccc2)c2oc3ccccc3c2n1CCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one?
The InChIKey is XZGNFTVMWRWGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-22-23-19(16-6-2-1-3-7-16)21-20(17-8-4-5-9-18(17)28-21)25(22)11-10-24-12-14-27-15-13-24/h1-9H,10-15H2.
What are the key properties of 1-(2-morpholin-4-ylethyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one?
1-(2-morpholin-4-ylethyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one has a molecular weight of 375.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 71602633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).