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

C16H19ClN2O — CID 63375123

IUPAC4-[2-(chloromethyl)quinolin-4-yl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(c2cc(CCl)nc3ccccc23)CCO1
InChIInChI=1S/C16H19ClN2O/c1-16(2)11-19(7-8-20-16)15-9-12(10-17)18-14-6-4-3-5-13(14)15/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyMVVLINSNCPOTJT-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.59
Rot. Bonds2

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

4-[2-(chloromethyl)quinolin-4-yl]-2,2-dimethylmorpholine (PubChem CID 63375123) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-[2-(chloromethyl)quinolin-4-yl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-(chloromethyl)quinolin-4-yl]-2,2-dimethylmorpholine
PubChem CID63375123
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-[2-(chloromethyl)quinolin-4-yl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(c2cc(CCl)nc3ccccc23)CCO1
InChIInChI=1S/C16H19ClN2O/c1-16(2)11-19(7-8-20-16)15-9-12(10-17)18-14-6-4-3-5-13(14)15/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyMVVLINSNCPOTJT-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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Related Compounds

4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine
CID 63375399
2-(chloromethyl)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline
CID 64579412
2,2-dimethyl-4-phenylmorpholine
CID 15576765
4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile
CID 133379557
4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133378282
4-[4-(chloromethyl)-3-pyridinyl]-2,2-dimethylmorpholine
CID 105067324
2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline
CID 63375255
4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine
CID 78871227
6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine
CID 114780841
(2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43430898
2-(2,2-dimethylmorpholin-4-yl)benzoic acid
CID 43592982
2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline
CID 63445345

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)quinolin-4-yl]-2,2-dimethylmorpholine?
The IUPAC name of 4-[2-(chloromethyl)quinolin-4-yl]-2,2-dimethylmorpholine (CID 63375123) is 4-[2-(chloromethyl)quinolin-4-yl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[2-(chloromethyl)quinolin-4-yl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[2-(chloromethyl)quinolin-4-yl]-2,2-dimethylmorpholine is CC1(C)CN(c2cc(CCl)nc3ccccc23)CCO1.
What is the InChIKey of 4-[2-(chloromethyl)quinolin-4-yl]-2,2-dimethylmorpholine?
The InChIKey is MVVLINSNCPOTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-16(2)11-19(7-8-20-16)15-9-12(10-17)18-14-6-4-3-5-13(14)15/h3-6,9H,7-8,10-11H2,1-2H3.
What are the key properties of 4-[2-(chloromethyl)quinolin-4-yl]-2,2-dimethylmorpholine?
4-[2-(chloromethyl)quinolin-4-yl]-2,2-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-[2-(chloromethyl)quinolin-4-yl]-2,2-dimethylmorpholine is sourced from PubChem (CID 63375123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).