4-[2-chloro-3-(chloromethyl)quinolin-6-yl]morpholine

C14H14Cl2N2O — CID 55176340

IUPAC4-[2-chloro-3-(chloromethyl)quinolin-6-yl]morpholine
SMILESClCc1cc2cc(N3CCOCC3)ccc2nc1Cl
InChIInChI=1S/C14H14Cl2N2O/c15-9-11-7-10-8-12(18-3-5-19-6-4-18)1-2-13(10)17-14(11)16/h1-2,7-8H,3-6,9H2
InChIKeyIJJZEARMGOTHGI-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.46
Rot. Bonds2

About 4-[2-chloro-3-(chloromethyl)quinolin-6-yl]morpholine

4-[2-chloro-3-(chloromethyl)quinolin-6-yl]morpholine (PubChem CID 55176340) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 4-[2-chloro-3-(chloromethyl)quinolin-6-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-3-(chloromethyl)quinolin-6-yl]morpholine
PubChem CID55176340
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name4-[2-chloro-3-(chloromethyl)quinolin-6-yl]morpholine
SMILESClCc1cc2cc(N3CCOCC3)ccc2nc1Cl
InChIInChI=1S/C14H14Cl2N2O/c15-9-11-7-10-8-12(18-3-5-19-6-4-18)1-2-13(10)17-14(11)16/h1-2,7-8H,3-6,9H2
InChIKeyIJJZEARMGOTHGI-UHFFFAOYSA-N
XLogP3.46
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-3-(chloromethyl)quinolin-6-yl]morpholine?
The IUPAC name of 4-[2-chloro-3-(chloromethyl)quinolin-6-yl]morpholine (CID 55176340) is 4-[2-chloro-3-(chloromethyl)quinolin-6-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-3-(chloromethyl)quinolin-6-yl]morpholine?
The canonical SMILES for 4-[2-chloro-3-(chloromethyl)quinolin-6-yl]morpholine is ClCc1cc2cc(N3CCOCC3)ccc2nc1Cl.
What is the InChIKey of 4-[2-chloro-3-(chloromethyl)quinolin-6-yl]morpholine?
The InChIKey is IJJZEARMGOTHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c15-9-11-7-10-8-12(18-3-5-19-6-4-18)1-2-13(10)17-14(11)16/h1-2,7-8H,3-6,9H2.
What are the key properties of 4-[2-chloro-3-(chloromethyl)quinolin-6-yl]morpholine?
4-[2-chloro-3-(chloromethyl)quinolin-6-yl]morpholine has a molecular weight of 297.19 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-3-(chloromethyl)quinolin-6-yl]morpholine is sourced from PubChem (CID 55176340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).