6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine

C17H21ClN2O — CID 114780841

IUPAC6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine
SMILESCc1cc(N2CC(CCl)OC(C)(C)C2)c2ccccc2n1
InChIInChI=1S/C17H21ClN2O/c1-12-8-16(14-6-4-5-7-15(14)19-12)20-10-13(9-18)21-17(2,3)11-20/h4-8,13H,9-11H2,1-3H3
InChIKeyAFYXDZBQOKZCFC-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.77
Rot. Bonds2

About 6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine

6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine (PubChem CID 114780841) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine.

Molecular Properties

Compound Name6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine
PubChem CID114780841
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine
SMILESCc1cc(N2CC(CCl)OC(C)(C)C2)c2ccccc2n1
InChIInChI=1S/C17H21ClN2O/c1-12-8-16(14-6-4-5-7-15(14)19-12)20-10-13(9-18)21-17(2,3)11-20/h4-8,13H,9-11H2,1-3H3
InChIKeyAFYXDZBQOKZCFC-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine
CID 63375399
6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine
CID 114780916
4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline
CID 55184612
4-[4-(2-chloroethyl)piperazin-1-yl]-2-methylquinoline
CID 63392682
4-[2-(chloromethyl)quinolin-4-yl]-2,2-dimethylmorpholine
CID 63375123
4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline
CID 102961080
N,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine
CID 115305596
4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 63721046
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781210
6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine
CID 114780970
[4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114777898
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine?
The IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine (CID 114780841) is 6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine.
What is the SMILES notation for 6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine?
The canonical SMILES for 6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine is Cc1cc(N2CC(CCl)OC(C)(C)C2)c2ccccc2n1.
What is the InChIKey of 6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine?
The InChIKey is AFYXDZBQOKZCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-12-8-16(14-6-4-5-7-15(14)19-12)20-10-13(9-18)21-17(2,3)11-20/h4-8,13H,9-11H2,1-3H3.
What are the key properties of 6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine?
6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine has a molecular weight of 304.82 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine is sourced from PubChem (CID 114780841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).