(2,3-diphenylquinoxalin-6-yl)-morpholin-4-ylmethanone

C25H21N3O2 — CID 1230007

IUPAC(2,3-diphenylquinoxalin-6-yl)-morpholin-4-ylmethanone
SMILESO=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCOCC1
InChIInChI=1S/C25H21N3O2/c29-25(28-13-15-30-16-14-28)20-11-12-21-22(17-20)27-24(19-9-5-2-6-10-19)23(26-21)18-7-3-1-4-8-18/h1-12,17H,13-16H2
InChIKeyXMOAXXRVOGXRCI-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.44
Rot. Bonds3

About (2,3-diphenylquinoxalin-6-yl)-morpholin-4-ylmethanone

(2,3-diphenylquinoxalin-6-yl)-morpholin-4-ylmethanone (PubChem CID 1230007) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is (2,3-diphenylquinoxalin-6-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2,3-diphenylquinoxalin-6-yl)-morpholin-4-ylmethanone
PubChem CID1230007
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name(2,3-diphenylquinoxalin-6-yl)-morpholin-4-ylmethanone
SMILESO=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCOCC1
InChIInChI=1S/C25H21N3O2/c29-25(28-13-15-30-16-14-28)20-11-12-21-22(17-20)27-24(19-9-5-2-6-10-19)23(26-21)18-7-3-1-4-8-18/h1-12,17H,13-16H2
InChIKeyXMOAXXRVOGXRCI-UHFFFAOYSA-N
XLogP4.44
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-diphenylquinoxalin-6-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2,3-diphenylquinoxalin-6-yl)-morpholin-4-ylmethanone (CID 1230007) is (2,3-diphenylquinoxalin-6-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2,3-diphenylquinoxalin-6-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2,3-diphenylquinoxalin-6-yl)-morpholin-4-ylmethanone is O=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCOCC1.
What is the InChIKey of (2,3-diphenylquinoxalin-6-yl)-morpholin-4-ylmethanone?
The InChIKey is XMOAXXRVOGXRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c29-25(28-13-15-30-16-14-28)20-11-12-21-22(17-20)27-24(19-9-5-2-6-10-19)23(26-21)18-7-3-1-4-8-18/h1-12,17H,13-16H2.
What are the key properties of (2,3-diphenylquinoxalin-6-yl)-morpholin-4-ylmethanone?
(2,3-diphenylquinoxalin-6-yl)-morpholin-4-ylmethanone has a molecular weight of 395.46 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diphenylquinoxalin-6-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 1230007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).