4-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile

C20H18N4O2 — CID 5115193

IUPAC4-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2nc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C20H18N4O2/c21-13-15-5-7-16(8-6-15)14-26-20-19(24-9-11-25-12-10-24)22-17-3-1-2-4-18(17)23-20/h1-8H,9-12,14H2
InChIKeyMBBXAMSGTAWYPT-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.92
Rot. Bonds4

About 4-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile

4-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile (PubChem CID 5115193) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile
PubChem CID5115193
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2nc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C20H18N4O2/c21-13-15-5-7-16(8-6-15)14-26-20-19(24-9-11-25-12-10-24)22-17-3-1-2-4-18(17)23-20/h1-8H,9-12,14H2
InChIKeyMBBXAMSGTAWYPT-UHFFFAOYSA-N
XLogP2.92
TPSA71.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile?
The IUPAC name of 4-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile (CID 5115193) is 4-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile.
What is the SMILES notation for 4-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile?
The canonical SMILES for 4-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile is N#Cc1ccc(COc2nc3ccccc3nc2N2CCOCC2)cc1.
What is the InChIKey of 4-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile?
The InChIKey is MBBXAMSGTAWYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-13-15-5-7-16(8-6-15)14-26-20-19(24-9-11-25-12-10-24)22-17-3-1-2-4-18(17)23-20/h1-8H,9-12,14H2.
What are the key properties of 4-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile?
4-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile has a molecular weight of 346.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile is sourced from PubChem (CID 5115193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).