4-[(4-chlorophenyl)methyl]-2-[(5-chloroquinolin-8-yl)oxymethyl]morpholine

C21H20Cl2N2O2 — CID 11750030

IUPAC4-[(4-chlorophenyl)methyl]-2-[(5-chloroquinolin-8-yl)oxymethyl]morpholine
SMILESClc1ccc(CN2CCOC(COc3ccc(Cl)c4cccnc34)C2)cc1
InChIInChI=1S/C21H20Cl2N2O2/c22-16-5-3-15(4-6-16)12-25-10-11-26-17(13-25)14-27-20-8-7-19(23)18-2-1-9-24-21(18)20/h1-9,17H,10-14H2
InChIKeyCXJZXQCJAQVMSS-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.82
Rot. Bonds5

About 4-[(4-chlorophenyl)methyl]-2-[(5-chloroquinolin-8-yl)oxymethyl]morpholine

4-[(4-chlorophenyl)methyl]-2-[(5-chloroquinolin-8-yl)oxymethyl]morpholine (PubChem CID 11750030) has the molecular formula C21H20Cl2N2O2 and a molecular weight of 403.31 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2-[(5-chloroquinolin-8-yl)oxymethyl]morpholine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-[(5-chloroquinolin-8-yl)oxymethyl]morpholine
PubChem CID11750030
Molecular FormulaC21H20Cl2N2O2
Molecular Weight403.31 g/mol
Exact Mass402.09
IUPAC Name4-[(4-chlorophenyl)methyl]-2-[(5-chloroquinolin-8-yl)oxymethyl]morpholine
SMILESClc1ccc(CN2CCOC(COc3ccc(Cl)c4cccnc34)C2)cc1
InChIInChI=1S/C21H20Cl2N2O2/c22-16-5-3-15(4-6-16)12-25-10-11-26-17(13-25)14-27-20-8-7-19(23)18-2-1-9-24-21(18)20/h1-9,17H,10-14H2
InChIKeyCXJZXQCJAQVMSS-UHFFFAOYSA-N
XLogP4.82
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-2-[(5-chloroquinolin-8-yl)oxymethyl]morpholine?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-[(5-chloroquinolin-8-yl)oxymethyl]morpholine (CID 11750030) is 4-[(4-chlorophenyl)methyl]-2-[(5-chloroquinolin-8-yl)oxymethyl]morpholine.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-[(5-chloroquinolin-8-yl)oxymethyl]morpholine?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-[(5-chloroquinolin-8-yl)oxymethyl]morpholine is Clc1ccc(CN2CCOC(COc3ccc(Cl)c4cccnc34)C2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-[(5-chloroquinolin-8-yl)oxymethyl]morpholine?
The InChIKey is CXJZXQCJAQVMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2/c22-16-5-3-15(4-6-16)12-25-10-11-26-17(13-25)14-27-20-8-7-19(23)18-2-1-9-24-21(18)20/h1-9,17H,10-14H2.
What are the key properties of 4-[(4-chlorophenyl)methyl]-2-[(5-chloroquinolin-8-yl)oxymethyl]morpholine?
4-[(4-chlorophenyl)methyl]-2-[(5-chloroquinolin-8-yl)oxymethyl]morpholine has a molecular weight of 403.31 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-2-[(5-chloroquinolin-8-yl)oxymethyl]morpholine is sourced from PubChem (CID 11750030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).