(2R,6R)-4-(8-cyanoquinoxalin-5-yl)-N-(2,6-dioxopiperidin-3-yl)-6-methylmorpholine-2-carboxamide

C20H20N6O4 — CID 146329334

IUPAC(2R,6R)-4-(8-cyanoquinoxalin-5-yl)-N-(2,6-dioxopiperidin-3-yl)-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3nccnc23)C[C@H](C(=O)NC2CCC(=O)NC2=O)O1
InChIInChI=1S/C20H20N6O4/c1-11-9-26(14-4-2-12(8-21)17-18(14)23-7-6-22-17)10-15(30-11)20(29)24-13-3-5-16(27)25-19(13)28/h2,4,6-7,11,13,15H,3,5,9-10H2,1H3,(H,24,29)(H,25,27,28)/t11-,13?,15-/m1/s1
InChIKeyMWXHLQYKPRFFCV-IMORHIPNSA-N
MW408.42 g/mol
LogP0.02
Rot. Bonds3

About (2R,6R)-4-(8-cyanoquinoxalin-5-yl)-N-(2,6-dioxopiperidin-3-yl)-6-methylmorpholine-2-carboxamide

(2R,6R)-4-(8-cyanoquinoxalin-5-yl)-N-(2,6-dioxopiperidin-3-yl)-6-methylmorpholine-2-carboxamide (PubChem CID 146329334) has the molecular formula C20H20N6O4 and a molecular weight of 408.42 g/mol. Its IUPAC name is (2R,6R)-4-(8-cyanoquinoxalin-5-yl)-N-(2,6-dioxopiperidin-3-yl)-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,6R)-4-(8-cyanoquinoxalin-5-yl)-N-(2,6-dioxopiperidin-3-yl)-6-methylmorpholine-2-carboxamide
PubChem CID146329334
Molecular FormulaC20H20N6O4
Molecular Weight408.42 g/mol
Exact Mass408.15
IUPAC Name(2R,6R)-4-(8-cyanoquinoxalin-5-yl)-N-(2,6-dioxopiperidin-3-yl)-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3nccnc23)C[C@H](C(=O)NC2CCC(=O)NC2=O)O1
InChIInChI=1S/C20H20N6O4/c1-11-9-26(14-4-2-12(8-21)17-18(14)23-7-6-22-17)10-15(30-11)20(29)24-13-3-5-16(27)25-19(13)28/h2,4,6-7,11,13,15H,3,5,9-10H2,1H3,(H,24,29)(H,25,27,28)/t11-,13?,15-/m1/s1
InChIKeyMWXHLQYKPRFFCV-IMORHIPNSA-N
XLogP0.02
TPSA137.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(8-cyanoquinoxalin-5-yl)-N-(2,6-dioxopiperidin-3-yl)-6-methylmorpholine-2-carboxamide?
The IUPAC name of (2R,6R)-4-(8-cyanoquinoxalin-5-yl)-N-(2,6-dioxopiperidin-3-yl)-6-methylmorpholine-2-carboxamide (CID 146329334) is (2R,6R)-4-(8-cyanoquinoxalin-5-yl)-N-(2,6-dioxopiperidin-3-yl)-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,6R)-4-(8-cyanoquinoxalin-5-yl)-N-(2,6-dioxopiperidin-3-yl)-6-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R,6R)-4-(8-cyanoquinoxalin-5-yl)-N-(2,6-dioxopiperidin-3-yl)-6-methylmorpholine-2-carboxamide is C[C@@H]1CN(c2ccc(C#N)c3nccnc23)C[C@H](C(=O)NC2CCC(=O)NC2=O)O1.
What is the InChIKey of (2R,6R)-4-(8-cyanoquinoxalin-5-yl)-N-(2,6-dioxopiperidin-3-yl)-6-methylmorpholine-2-carboxamide?
The InChIKey is MWXHLQYKPRFFCV-IMORHIPNSA-N. The full InChI is InChI=1S/C20H20N6O4/c1-11-9-26(14-4-2-12(8-21)17-18(14)23-7-6-22-17)10-15(30-11)20(29)24-13-3-5-16(27)25-19(13)28/h2,4,6-7,11,13,15H,3,5,9-10H2,1H3,(H,24,29)(H,25,27,28)/t11-,13?,15-/m1/s1.
What are the key properties of (2R,6R)-4-(8-cyanoquinoxalin-5-yl)-N-(2,6-dioxopiperidin-3-yl)-6-methylmorpholine-2-carboxamide?
(2R,6R)-4-(8-cyanoquinoxalin-5-yl)-N-(2,6-dioxopiperidin-3-yl)-6-methylmorpholine-2-carboxamide has a molecular weight of 408.42 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(8-cyanoquinoxalin-5-yl)-N-(2,6-dioxopiperidin-3-yl)-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 146329334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).