(2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide

C₁₇H₁₈N₄O₂ — CID 118007139

About (2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide

(2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide (PubChem CID 118007139) has the molecular formula C₁₇H₁₈N₄O₂ and a molecular weight of 310.36 g/mol. Its IUPAC name is (2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide.

Molecular Properties

• Compound Name: (2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide
• PubChem CID: 118007139
• Molecular Formula: C₁₇H₁₈N₄O₂
• Molecular Weight: 310.36 g/mol
• Exact Mass: 310.14
• IUPAC Name: (2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide
• SMILES: CNC(=O)[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1
• InChI: InChI=1S/C17H18N4O2/c1-11-9-21(10-15(23-11)17(22)19-2)14-6-5-12(8-18)16-13(14)4-3-7-20-16/h3-7,11,15H,9-10H2,1-2H3,(H,19,22)/t11-,15-/m1/s1
• InChIKey: VRJVQZQAYSGRDT-IAQYHMDHSA-N
• XLogP: 1.45
• TPSA: 78.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.36
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide?

The IUPAC name of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide (CID 118007139) is (2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide.

What is the SMILES notation for (2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide?

The canonical SMILES for (2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide is CNC(=O)[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1.

What is the InChIKey of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide?

The InChIKey is VRJVQZQAYSGRDT-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-9-21(10-15(23-11)17(22)19-2)14-6-5-12(8-18)16-13(14)4-3-7-20-16/h3-7,11,15H,9-10H2,1-2H3,(H,19,22)/t11-,15-/m1/s1.

What are the key properties of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide?

(2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 118007139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118007139 — identifiers, structure, computed properties (public domain)

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