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

C20H18N4O2 — CID 2490169

IUPAC2-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile
SMILESN#Cc1ccccc1COc1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C20H18N4O2/c21-13-15-5-1-2-6-16(15)14-26-20-19(24-9-11-25-12-10-24)22-17-7-3-4-8-18(17)23-20/h1-8H,9-12,14H2
InChIKeyGNLPQHIPBKOVMA-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.92
Rot. Bonds4

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

2-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile (PubChem CID 2490169) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name2-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile
PubChem CID2490169
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile
SMILESN#Cc1ccccc1COc1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C20H18N4O2/c21-13-15-5-1-2-6-16(15)14-26-20-19(24-9-11-25-12-10-24)22-17-7-3-4-8-18(17)23-20/h1-8H,9-12,14H2
InChIKeyGNLPQHIPBKOVMA-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 2-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile?
The IUPAC name of 2-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile (CID 2490169) is 2-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile.
What is the SMILES notation for 2-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile?
The canonical SMILES for 2-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile is N#Cc1ccccc1COc1nc2ccccc2nc1N1CCOCC1.
What is the InChIKey of 2-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile?
The InChIKey is GNLPQHIPBKOVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-13-15-5-1-2-6-16(15)14-26-20-19(24-9-11-25-12-10-24)22-17-7-3-4-8-18(17)23-20/h1-8H,9-12,14H2.
What are the key properties of 2-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile?
2-[(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 2-[(3-morpholin-4-ylquinoxalin-2-yl)oxymethyl]benzonitrile is sourced from PubChem (CID 2490169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).