(2,2-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone

C15H21N3O2 — CID 107356026

IUPAC(2,2-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
SMILESCC1(C)CN(C(=O)C2CNc3ccccc3N2)CCO1
InChIInChI=1S/C15H21N3O2/c1-15(2)10-18(7-8-20-15)14(19)13-9-16-11-5-3-4-6-12(11)17-13/h3-6,13,16-17H,7-10H2,1-2H3
InChIKeyNGIWZAOCGQZJEC-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.53
Rot. Bonds1

About (2,2-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone

(2,2-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone (PubChem CID 107356026) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
PubChem CID107356026
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2,2-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
SMILESCC1(C)CN(C(=O)C2CNc3ccccc3N2)CCO1
InChIInChI=1S/C15H21N3O2/c1-15(2)10-18(7-8-20-15)14(19)13-9-16-11-5-3-4-6-12(11)17-13/h3-6,13,16-17H,7-10H2,1-2H3
InChIKeyNGIWZAOCGQZJEC-UHFFFAOYSA-N
XLogP1.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone (CID 107356026) is (2,2-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone is CC1(C)CN(C(=O)C2CNc3ccccc3N2)CCO1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
The InChIKey is NGIWZAOCGQZJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2)10-18(7-8-20-15)14(19)13-9-16-11-5-3-4-6-12(11)17-13/h3-6,13,16-17H,7-10H2,1-2H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
(2,2-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone is sourced from PubChem (CID 107356026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).