7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinolin-4-amine

C20H21ClN2O2 — CID 56840776

IUPAC7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinolin-4-amine
SMILESCOc1ccc(CCN(C)c2ccnc3cc(Cl)ccc23)cc1OC
InChIInChI=1S/C20H21ClN2O2/c1-23(11-9-14-4-7-19(24-2)20(12-14)25-3)18-8-10-22-17-13-15(21)5-6-16(17)18/h4-8,10,12-13H,9,11H2,1-3H3
InChIKeyJLEYEHKYFQHPSJ-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.58
Rot. Bonds6

About 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinolin-4-amine

7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinolin-4-amine (PubChem CID 56840776) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinolin-4-amine
PubChem CID56840776
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinolin-4-amine
SMILESCOc1ccc(CCN(C)c2ccnc3cc(Cl)ccc23)cc1OC
InChIInChI=1S/C20H21ClN2O2/c1-23(11-9-14-4-7-19(24-2)20(12-14)25-3)18-8-10-22-17-13-15(21)5-6-16(17)18/h4-8,10,12-13H,9,11H2,1-3H3
InChIKeyJLEYEHKYFQHPSJ-UHFFFAOYSA-N
XLogP4.58
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinolin-4-amine?
The IUPAC name of 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinolin-4-amine (CID 56840776) is 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinolin-4-amine?
The canonical SMILES for 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinolin-4-amine is COc1ccc(CCN(C)c2ccnc3cc(Cl)ccc23)cc1OC.
What is the InChIKey of 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinolin-4-amine?
The InChIKey is JLEYEHKYFQHPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-23(11-9-14-4-7-19(24-2)20(12-14)25-3)18-8-10-22-17-13-15(21)5-6-16(17)18/h4-8,10,12-13H,9,11H2,1-3H3.
What are the key properties of 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinolin-4-amine?
7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinolin-4-amine has a molecular weight of 356.85 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinolin-4-amine is sourced from PubChem (CID 56840776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).