6-(2,2-dimethylmorpholin-4-yl)-N,2-dimethylquinolin-4-amine

C17H23N3O — CID 166829546

IUPAC6-(2,2-dimethylmorpholin-4-yl)-N,2-dimethylquinolin-4-amine
SMILESCNc1cc(C)nc2ccc(N3CCOC(C)(C)C3)cc12
InChIInChI=1S/C17H23N3O/c1-12-9-16(18-4)14-10-13(5-6-15(14)19-12)20-7-8-21-17(2,3)11-20/h5-6,9-10H,7-8,11H2,1-4H3,(H,18,19)
InChIKeyVEHRQXRJFVCEFI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.20
Rot. Bonds2

About 6-(2,2-dimethylmorpholin-4-yl)-N,2-dimethylquinolin-4-amine

6-(2,2-dimethylmorpholin-4-yl)-N,2-dimethylquinolin-4-amine (PubChem CID 166829546) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-(2,2-dimethylmorpholin-4-yl)-N,2-dimethylquinolin-4-amine.

Molecular Properties

Compound Name6-(2,2-dimethylmorpholin-4-yl)-N,2-dimethylquinolin-4-amine
PubChem CID166829546
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-(2,2-dimethylmorpholin-4-yl)-N,2-dimethylquinolin-4-amine
SMILESCNc1cc(C)nc2ccc(N3CCOC(C)(C)C3)cc12
InChIInChI=1S/C17H23N3O/c1-12-9-16(18-4)14-10-13(5-6-15(14)19-12)20-7-8-21-17(2,3)11-20/h5-6,9-10H,7-8,11H2,1-4H3,(H,18,19)
InChIKeyVEHRQXRJFVCEFI-UHFFFAOYSA-N
XLogP3.20
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylmorpholin-4-yl)-N,2-dimethylquinolin-4-amine?
The IUPAC name of 6-(2,2-dimethylmorpholin-4-yl)-N,2-dimethylquinolin-4-amine (CID 166829546) is 6-(2,2-dimethylmorpholin-4-yl)-N,2-dimethylquinolin-4-amine.
What is the SMILES notation for 6-(2,2-dimethylmorpholin-4-yl)-N,2-dimethylquinolin-4-amine?
The canonical SMILES for 6-(2,2-dimethylmorpholin-4-yl)-N,2-dimethylquinolin-4-amine is CNc1cc(C)nc2ccc(N3CCOC(C)(C)C3)cc12.
What is the InChIKey of 6-(2,2-dimethylmorpholin-4-yl)-N,2-dimethylquinolin-4-amine?
The InChIKey is VEHRQXRJFVCEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-9-16(18-4)14-10-13(5-6-15(14)19-12)20-7-8-21-17(2,3)11-20/h5-6,9-10H,7-8,11H2,1-4H3,(H,18,19).
What are the key properties of 6-(2,2-dimethylmorpholin-4-yl)-N,2-dimethylquinolin-4-amine?
6-(2,2-dimethylmorpholin-4-yl)-N,2-dimethylquinolin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylmorpholin-4-yl)-N,2-dimethylquinolin-4-amine is sourced from PubChem (CID 166829546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).