2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine

C16H19BrN2O — CID 81210742

IUPAC2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine
SMILESCC1COC(CBr)CN1Cc1ccc2ncccc2c1
InChIInChI=1S/C16H19BrN2O/c1-12-11-20-15(8-17)10-19(12)9-13-4-5-16-14(7-13)3-2-6-18-16/h2-7,12,15H,8-11H2,1H3
InChIKeyJUUAUKWMUCTESR-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.22
Rot. Bonds3

About 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine

2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine (PubChem CID 81210742) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine
PubChem CID81210742
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine
SMILESCC1COC(CBr)CN1Cc1ccc2ncccc2c1
InChIInChI=1S/C16H19BrN2O/c1-12-11-20-15(8-17)10-19(12)9-13-4-5-16-14(7-13)3-2-6-18-16/h2-7,12,15H,8-11H2,1H3
InChIKeyJUUAUKWMUCTESR-UHFFFAOYSA-N
XLogP3.22
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.22
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

6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline
CID 80673665
4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 120908917
6-[2-(oxiran-2-yl)ethyl]quinoline
CID 130239361
(2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid
CID 167968895
6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline
CID 102784654
6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline
CID 103885682
[4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine
CID 80504294
2-(bromomethyl)-4-[(3-chloro-4-pyridinyl)methyl]-5-methylmorpholine
CID 81209707
N'-hydroxy-4-(quinolin-6-ylmethyl)morpholine-2-carboximidamide
CID 79670544
N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide
CID 77036107
[5-methyl-4-(pyridin-3-ylmethyl)morpholin-2-yl]methanamine
CID 81217823
N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide
CID 77036050

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine?
The IUPAC name of 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine (CID 81210742) is 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine?
The canonical SMILES for 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine is CC1COC(CBr)CN1Cc1ccc2ncccc2c1.
What is the InChIKey of 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine?
The InChIKey is JUUAUKWMUCTESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-12-11-20-15(8-17)10-19(12)9-13-4-5-16-14(7-13)3-2-6-18-16/h2-7,12,15H,8-11H2,1H3.
What are the key properties of 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine?
2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine has a molecular weight of 335.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-methyl-4-(quinolin-6-ylmethyl)morpholine is sourced from PubChem (CID 81210742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).