4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide

C16H20N4O — CID 104958895

IUPAC4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H20N4O/c1-10-8-20(9-11(2)21-10)15-12-5-3-4-6-14(12)19-7-13(15)16(17)18/h3-7,10-11H,8-9H2,1-2H3,(H3,17,18)/t10-,11+
InChIKeyGOUQZEHCQRDFTR-PHIMTYICSA-N
MW284.36 g/mol
LogP2.13
Rot. Bonds2

About 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide

4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide (PubChem CID 104958895) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide
PubChem CID104958895
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H20N4O/c1-10-8-20(9-11(2)21-10)15-12-5-3-4-6-14(12)19-7-13(15)16(17)18/h3-7,10-11H,8-9H2,1-2H3,(H3,17,18)/t10-,11+
InChIKeyGOUQZEHCQRDFTR-PHIMTYICSA-N
XLogP2.13
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide (CID 104958895) is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide is [H]/N=C(\N)c1cnc2ccccc2c1N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide?
The InChIKey is GOUQZEHCQRDFTR-PHIMTYICSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10-8-20(9-11(2)21-10)15-12-5-3-4-6-14(12)19-7-13(15)16(17)18/h3-7,10-11H,8-9H2,1-2H3,(H3,17,18)/t10-,11+.
What are the key properties of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide?
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide has a molecular weight of 284.36 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide is sourced from PubChem (CID 104958895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).