2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine

C20H22N2O3 — CID 82039989

IUPAC2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine
SMILESCOc1cc(CCN)cc(-c2ccc(OC)c3ncccc23)c1OC
InChIInChI=1S/C20H22N2O3/c1-23-17-7-6-14(15-5-4-10-22-19(15)17)16-11-13(8-9-21)12-18(24-2)20(16)25-3/h4-7,10-12H,8-9,21H2,1-3H3
InChIKeyNWZABKONCZOETN-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.43
Rot. Bonds6

About 2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine

2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine (PubChem CID 82039989) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine
PubChem CID82039989
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine
SMILESCOc1cc(CCN)cc(-c2ccc(OC)c3ncccc23)c1OC
InChIInChI=1S/C20H22N2O3/c1-23-17-7-6-14(15-5-4-10-22-19(15)17)16-11-13(8-9-21)12-18(24-2)20(16)25-3/h4-7,10-12H,8-9,21H2,1-3H3
InChIKeyNWZABKONCZOETN-UHFFFAOYSA-N
XLogP3.43
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine?
The IUPAC name of 2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine (CID 82039989) is 2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine is COc1cc(CCN)cc(-c2ccc(OC)c3ncccc23)c1OC.
What is the InChIKey of 2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine?
The InChIKey is NWZABKONCZOETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-23-17-7-6-14(15-5-4-10-22-19(15)17)16-11-13(8-9-21)12-18(24-2)20(16)25-3/h4-7,10-12H,8-9,21H2,1-3H3.
What are the key properties of 2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine?
2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine has a molecular weight of 338.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine is sourced from PubChem (CID 82039989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).