2-(bromomethyl)-5-methyl-4-quinolin-4-ylmorpholine

C15H17BrN2O — CID 81210918

IUPAC2-(bromomethyl)-5-methyl-4-quinolin-4-ylmorpholine
SMILESCC1COC(CBr)CN1c1ccnc2ccccc12
InChIInChI=1S/C15H17BrN2O/c1-11-10-19-12(8-16)9-18(11)15-6-7-17-14-5-3-2-4-13(14)15/h2-7,11-12H,8-10H2,1H3
InChIKeyOJRJONGKQXAIDL-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.22
Rot. Bonds2

About 2-(bromomethyl)-5-methyl-4-quinolin-4-ylmorpholine

2-(bromomethyl)-5-methyl-4-quinolin-4-ylmorpholine (PubChem CID 81210918) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-(bromomethyl)-5-methyl-4-quinolin-4-ylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-5-methyl-4-quinolin-4-ylmorpholine
PubChem CID81210918
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-(bromomethyl)-5-methyl-4-quinolin-4-ylmorpholine
SMILESCC1COC(CBr)CN1c1ccnc2ccccc12
InChIInChI=1S/C15H17BrN2O/c1-11-10-19-12(8-16)9-18(11)15-6-7-17-14-5-3-2-4-13(14)15/h2-7,11-12H,8-10H2,1H3
InChIKeyOJRJONGKQXAIDL-UHFFFAOYSA-N
XLogP3.22
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
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

[2-(bromomethyl)-5-methylmorpholin-4-yl]-isoquinolin-1-ylmethanone
CID 81214033
2-(bromomethyl)-5-methyl-4-(1,3-thiazol-2-yl)morpholine
CID 81210210
2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine
CID 81213273
2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine
CID 112639426
[5-methyl-4-(3-methyl-4-pyridinyl)morpholin-2-yl]methanamine
CID 81217599
4-(2,5-dimethylmorpholin-4-yl)quinolin-8-amine
CID 83060956
2-(bromomethyl)-5-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine
CID 114273514
(2R,5R)-2,5-dimethyl-4-quinazolin-4-ylmorpholine
CID 51672171
2-(bromomethyl)-5-methyl-4-[(1-methylindazol-3-yl)methyl]morpholine
CID 81209909
2-(bromomethyl)-5-methyl-4-(quinolin-8-ylmethyl)morpholine
CID 81210741
(5-methyl-4-quinazolin-2-ylmorpholin-2-yl)methanol
CID 114789622
(5-methyl-4-quinolin-2-ylmorpholin-2-yl)methanol
CID 81218885

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-methyl-4-quinolin-4-ylmorpholine?
The IUPAC name of 2-(bromomethyl)-5-methyl-4-quinolin-4-ylmorpholine (CID 81210918) is 2-(bromomethyl)-5-methyl-4-quinolin-4-ylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-5-methyl-4-quinolin-4-ylmorpholine?
The canonical SMILES for 2-(bromomethyl)-5-methyl-4-quinolin-4-ylmorpholine is CC1COC(CBr)CN1c1ccnc2ccccc12.
What is the InChIKey of 2-(bromomethyl)-5-methyl-4-quinolin-4-ylmorpholine?
The InChIKey is OJRJONGKQXAIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11-10-19-12(8-16)9-18(11)15-6-7-17-14-5-3-2-4-13(14)15/h2-7,11-12H,8-10H2,1H3.
What are the key properties of 2-(bromomethyl)-5-methyl-4-quinolin-4-ylmorpholine?
2-(bromomethyl)-5-methyl-4-quinolin-4-ylmorpholine has a molecular weight of 321.22 g/mol, XLogP of 3.22, 2 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-4-ylmorpholine is sourced from PubChem (CID 81210918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).