(2R,6S)-4-[4-(chloromethyl)quinolin-2-yl]-2,6-dimethylmorpholine

C16H19ClN2O — CID 104959969

IUPAC(2R,6S)-4-[4-(chloromethyl)quinolin-2-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2cc(CCl)c3ccccc3n2)C[C@H](C)O1
InChIInChI=1S/C16H19ClN2O/c1-11-9-19(10-12(2)20-11)16-7-13(8-17)14-5-3-4-6-15(14)18-16/h3-7,11-12H,8-10H2,1-2H3/t11-,12+
InChIKeyYEDRCLWKULSULA-TXEJJXNPSA-N
MW290.79 g/mol
LogP3.59
Rot. Bonds2

About (2R,6S)-4-[4-(chloromethyl)quinolin-2-yl]-2,6-dimethylmorpholine

(2R,6S)-4-[4-(chloromethyl)quinolin-2-yl]-2,6-dimethylmorpholine (PubChem CID 104959969) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is (2R,6S)-4-[4-(chloromethyl)quinolin-2-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[4-(chloromethyl)quinolin-2-yl]-2,6-dimethylmorpholine
PubChem CID104959969
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name(2R,6S)-4-[4-(chloromethyl)quinolin-2-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2cc(CCl)c3ccccc3n2)C[C@H](C)O1
InChIInChI=1S/C16H19ClN2O/c1-11-9-19(10-12(2)20-11)16-7-13(8-17)14-5-3-4-6-15(14)18-16/h3-7,11-12H,8-10H2,1-2H3/t11-,12+
InChIKeyYEDRCLWKULSULA-TXEJJXNPSA-N
XLogP3.59
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[4-(chloromethyl)quinolin-2-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[4-(chloromethyl)quinolin-2-yl]-2,6-dimethylmorpholine (CID 104959969) is (2R,6S)-4-[4-(chloromethyl)quinolin-2-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[4-(chloromethyl)quinolin-2-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[4-(chloromethyl)quinolin-2-yl]-2,6-dimethylmorpholine is C[C@@H]1CN(c2cc(CCl)c3ccccc3n2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-[4-(chloromethyl)quinolin-2-yl]-2,6-dimethylmorpholine?
The InChIKey is YEDRCLWKULSULA-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11-9-19(10-12(2)20-11)16-7-13(8-17)14-5-3-4-6-15(14)18-16/h3-7,11-12H,8-10H2,1-2H3/t11-,12+.
What are the key properties of (2R,6S)-4-[4-(chloromethyl)quinolin-2-yl]-2,6-dimethylmorpholine?
(2R,6S)-4-[4-(chloromethyl)quinolin-2-yl]-2,6-dimethylmorpholine has a molecular weight of 290.79 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[4-(chloromethyl)quinolin-2-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 104959969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).