(2R,5R)-4-(6-bromoquinolin-2-yl)-2,5-dimethylmorpholine

C15H17BrN2O — CID 90460659

IUPAC(2R,5R)-4-(6-bromoquinolin-2-yl)-2,5-dimethylmorpholine
SMILESC[C@@H]1CN(c2ccc3cc(Br)ccc3n2)[C@H](C)CO1
InChIInChI=1S/C15H17BrN2O/c1-10-9-19-11(2)8-18(10)15-6-3-12-7-13(16)4-5-14(12)17-15/h3-7,10-11H,8-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyZWMNTUFGLSQDFM-GHMZBOCLSA-N
MW321.22 g/mol
LogP3.61
Rot. Bonds1

About (2R,5R)-4-(6-bromoquinolin-2-yl)-2,5-dimethylmorpholine

(2R,5R)-4-(6-bromoquinolin-2-yl)-2,5-dimethylmorpholine (PubChem CID 90460659) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is (2R,5R)-4-(6-bromoquinolin-2-yl)-2,5-dimethylmorpholine.

Molecular Properties

Compound Name(2R,5R)-4-(6-bromoquinolin-2-yl)-2,5-dimethylmorpholine
PubChem CID90460659
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name(2R,5R)-4-(6-bromoquinolin-2-yl)-2,5-dimethylmorpholine
SMILESC[C@@H]1CN(c2ccc3cc(Br)ccc3n2)[C@H](C)CO1
InChIInChI=1S/C15H17BrN2O/c1-10-9-19-11(2)8-18(10)15-6-3-12-7-13(16)4-5-14(12)17-15/h3-7,10-11H,8-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyZWMNTUFGLSQDFM-GHMZBOCLSA-N
XLogP3.61
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-4-(6-bromoquinolin-2-yl)-2,5-dimethylmorpholine?
The IUPAC name of (2R,5R)-4-(6-bromoquinolin-2-yl)-2,5-dimethylmorpholine (CID 90460659) is (2R,5R)-4-(6-bromoquinolin-2-yl)-2,5-dimethylmorpholine.
What is the SMILES notation for (2R,5R)-4-(6-bromoquinolin-2-yl)-2,5-dimethylmorpholine?
The canonical SMILES for (2R,5R)-4-(6-bromoquinolin-2-yl)-2,5-dimethylmorpholine is C[C@@H]1CN(c2ccc3cc(Br)ccc3n2)[C@H](C)CO1.
What is the InChIKey of (2R,5R)-4-(6-bromoquinolin-2-yl)-2,5-dimethylmorpholine?
The InChIKey is ZWMNTUFGLSQDFM-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-9-19-11(2)8-18(10)15-6-3-12-7-13(16)4-5-14(12)17-15/h3-7,10-11H,8-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (2R,5R)-4-(6-bromoquinolin-2-yl)-2,5-dimethylmorpholine?
(2R,5R)-4-(6-bromoquinolin-2-yl)-2,5-dimethylmorpholine has a molecular weight of 321.22 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-4-(6-bromoquinolin-2-yl)-2,5-dimethylmorpholine is sourced from PubChem (CID 90460659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).