2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine

C15H17BrN2O — CID 81213273

IUPAC2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine
SMILESBrCC1CN(Cc2ccnc3ccccc23)CCO1
InChIInChI=1S/C15H17BrN2O/c16-9-13-11-18(7-8-19-13)10-12-5-6-17-15-4-2-1-3-14(12)15/h1-6,13H,7-11H2
InChIKeyPDMXLEJHHLAARZ-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.83
Rot. Bonds3

About 2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine

2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine (PubChem CID 81213273) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine
PubChem CID81213273
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine
SMILESBrCC1CN(Cc2ccnc3ccccc23)CCO1
InChIInChI=1S/C15H17BrN2O/c16-9-13-11-18(7-8-19-13)10-12-5-6-17-15-4-2-1-3-14(12)15/h1-6,13H,7-11H2
InChIKeyPDMXLEJHHLAARZ-UHFFFAOYSA-N
XLogP2.83
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.83
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

1-[4-(quinolin-4-ylmethyl)morpholin-2-yl]ethanamine
CID 115314848
N'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide
CID 79670534
4-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 79240792
[4-[(2-methylquinolin-4-yl)methyl]morpholin-2-yl]methanamine
CID 79235234
N-[(4-ethylmorpholin-2-yl)methyl]quinolin-4-amine
CID 115620947
4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol
CID 81214018
4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 79240395
2-(bromomethyl)-4-[(2-chloro-3-fluorophenyl)methyl]morpholine
CID 112654433
(6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane
CID 124957727
4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine
CID 81212861
1-(quinolin-4-ylmethyl)piperidin-4-one
CID 79235169
(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine
CID 124964102

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine?
The IUPAC name of 2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine (CID 81213273) is 2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine?
The canonical SMILES for 2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine is BrCC1CN(Cc2ccnc3ccccc23)CCO1.
What is the InChIKey of 2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine?
The InChIKey is PDMXLEJHHLAARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c16-9-13-11-18(7-8-19-13)10-12-5-6-17-15-4-2-1-3-14(12)15/h1-6,13H,7-11H2.
What are the key properties of 2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine?
2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine has a molecular weight of 321.22 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine is sourced from PubChem (CID 81213273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).