4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine

C17H21ClN2O — CID 63375399

IUPAC4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine
SMILESCC1CN(c2cc(CCl)nc3ccccc23)CC(C)(C)O1
InChIInChI=1S/C17H21ClN2O/c1-12-10-20(11-17(2,3)21-12)16-8-13(9-18)19-15-7-5-4-6-14(15)16/h4-8,12H,9-11H2,1-3H3
InChIKeyRZBZTNSWCMYQOP-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.98
Rot. Bonds2

About 4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine

4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine (PubChem CID 63375399) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine
PubChem CID63375399
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine
SMILESCC1CN(c2cc(CCl)nc3ccccc23)CC(C)(C)O1
InChIInChI=1S/C17H21ClN2O/c1-12-10-20(11-17(2,3)21-12)16-8-13(9-18)19-15-7-5-4-6-14(15)16/h4-8,12H,9-11H2,1-3H3
InChIKeyRZBZTNSWCMYQOP-UHFFFAOYSA-N
XLogP3.98
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.98
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-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine?
The IUPAC name of 4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine (CID 63375399) is 4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine.
What is the SMILES notation for 4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine?
The canonical SMILES for 4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine is CC1CN(c2cc(CCl)nc3ccccc23)CC(C)(C)O1.
What is the InChIKey of 4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine?
The InChIKey is RZBZTNSWCMYQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-12-10-20(11-17(2,3)21-12)16-8-13(9-18)19-15-7-5-4-6-14(15)16/h4-8,12H,9-11H2,1-3H3.
What are the key properties of 4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine?
4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine has a molecular weight of 304.82 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine is sourced from PubChem (CID 63375399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).