4-[3-(chloromethyl)quinolin-2-yl]-3,3-dimethylmorpholine

C16H19ClN2O — CID 61432845

IUPAC4-[3-(chloromethyl)quinolin-2-yl]-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1c1nc2ccccc2cc1CCl
InChIInChI=1S/C16H19ClN2O/c1-16(2)11-20-8-7-19(16)15-13(10-17)9-12-5-3-4-6-14(12)18-15/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyLLBZTMGEHPHJCV-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.59
Rot. Bonds2

About 4-[3-(chloromethyl)quinolin-2-yl]-3,3-dimethylmorpholine

4-[3-(chloromethyl)quinolin-2-yl]-3,3-dimethylmorpholine (PubChem CID 61432845) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-[3-(chloromethyl)quinolin-2-yl]-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-[3-(chloromethyl)quinolin-2-yl]-3,3-dimethylmorpholine
PubChem CID61432845
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-[3-(chloromethyl)quinolin-2-yl]-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1c1nc2ccccc2cc1CCl
InChIInChI=1S/C16H19ClN2O/c1-16(2)11-20-8-7-19(16)15-13(10-17)9-12-5-3-4-6-14(12)18-15/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyLLBZTMGEHPHJCV-UHFFFAOYSA-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 4-[3-(chloromethyl)quinolin-2-yl]-3,3-dimethylmorpholine?
The IUPAC name of 4-[3-(chloromethyl)quinolin-2-yl]-3,3-dimethylmorpholine (CID 61432845) is 4-[3-(chloromethyl)quinolin-2-yl]-3,3-dimethylmorpholine.
What is the SMILES notation for 4-[3-(chloromethyl)quinolin-2-yl]-3,3-dimethylmorpholine?
The canonical SMILES for 4-[3-(chloromethyl)quinolin-2-yl]-3,3-dimethylmorpholine is CC1(C)COCCN1c1nc2ccccc2cc1CCl.
What is the InChIKey of 4-[3-(chloromethyl)quinolin-2-yl]-3,3-dimethylmorpholine?
The InChIKey is LLBZTMGEHPHJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-16(2)11-20-8-7-19(16)15-13(10-17)9-12-5-3-4-6-14(12)18-15/h3-6,9H,7-8,10-11H2,1-2H3.
What are the key properties of 4-[3-(chloromethyl)quinolin-2-yl]-3,3-dimethylmorpholine?
4-[3-(chloromethyl)quinolin-2-yl]-3,3-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 4-[3-(chloromethyl)quinolin-2-yl]-3,3-dimethylmorpholine is sourced from PubChem (CID 61432845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).