4-[3-[(3,4-dichlorophenyl)methyl]-6-methoxyquinolin-4-yl]morpholine

C21H20Cl2N2O2 — CID 143492312

IUPAC4-[3-[(3,4-dichlorophenyl)methyl]-6-methoxyquinolin-4-yl]morpholine
SMILESCOc1ccc2ncc(Cc3ccc(Cl)c(Cl)c3)c(N3CCOCC3)c2c1
InChIInChI=1S/C21H20Cl2N2O2/c1-26-16-3-5-20-17(12-16)21(25-6-8-27-9-7-25)15(13-24-20)10-14-2-4-18(22)19(23)11-14/h2-5,11-13H,6-10H2,1H3
InChIKeyDSPKJOKPOKMVMZ-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.98
Rot. Bonds4

About 4-[3-[(3,4-dichlorophenyl)methyl]-6-methoxyquinolin-4-yl]morpholine

4-[3-[(3,4-dichlorophenyl)methyl]-6-methoxyquinolin-4-yl]morpholine (PubChem CID 143492312) has the molecular formula C21H20Cl2N2O2 and a molecular weight of 403.31 g/mol. Its IUPAC name is 4-[3-[(3,4-dichlorophenyl)methyl]-6-methoxyquinolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[3-[(3,4-dichlorophenyl)methyl]-6-methoxyquinolin-4-yl]morpholine
PubChem CID143492312
Molecular FormulaC21H20Cl2N2O2
Molecular Weight403.31 g/mol
Exact Mass402.09
IUPAC Name4-[3-[(3,4-dichlorophenyl)methyl]-6-methoxyquinolin-4-yl]morpholine
SMILESCOc1ccc2ncc(Cc3ccc(Cl)c(Cl)c3)c(N3CCOCC3)c2c1
InChIInChI=1S/C21H20Cl2N2O2/c1-26-16-3-5-20-17(12-16)21(25-6-8-27-9-7-25)15(13-24-20)10-14-2-4-18(22)19(23)11-14/h2-5,11-13H,6-10H2,1H3
InChIKeyDSPKJOKPOKMVMZ-UHFFFAOYSA-N
XLogP4.98
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3,4-dichlorophenyl)methyl]-6-methoxyquinolin-4-yl]morpholine?
The IUPAC name of 4-[3-[(3,4-dichlorophenyl)methyl]-6-methoxyquinolin-4-yl]morpholine (CID 143492312) is 4-[3-[(3,4-dichlorophenyl)methyl]-6-methoxyquinolin-4-yl]morpholine.
What is the SMILES notation for 4-[3-[(3,4-dichlorophenyl)methyl]-6-methoxyquinolin-4-yl]morpholine?
The canonical SMILES for 4-[3-[(3,4-dichlorophenyl)methyl]-6-methoxyquinolin-4-yl]morpholine is COc1ccc2ncc(Cc3ccc(Cl)c(Cl)c3)c(N3CCOCC3)c2c1.
What is the InChIKey of 4-[3-[(3,4-dichlorophenyl)methyl]-6-methoxyquinolin-4-yl]morpholine?
The InChIKey is DSPKJOKPOKMVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2/c1-26-16-3-5-20-17(12-16)21(25-6-8-27-9-7-25)15(13-24-20)10-14-2-4-18(22)19(23)11-14/h2-5,11-13H,6-10H2,1H3.
What are the key properties of 4-[3-[(3,4-dichlorophenyl)methyl]-6-methoxyquinolin-4-yl]morpholine?
4-[3-[(3,4-dichlorophenyl)methyl]-6-methoxyquinolin-4-yl]morpholine has a molecular weight of 403.31 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3,4-dichlorophenyl)methyl]-6-methoxyquinolin-4-yl]morpholine is sourced from PubChem (CID 143492312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).