1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol

C22H24Cl2N2O2 — CID 90669087

IUPAC1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol
SMILESCCN(CC)CC(O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(OC)cc12
InChIInChI=1S/C22H24Cl2N2O2/c1-4-26(5-2)13-22(27)17-12-21(14-6-8-18(23)19(24)10-14)25-20-9-7-15(28-3)11-16(17)20/h6-12,22,27H,4-5,13H2,1-3H3
InChIKeyGAKTURBXMMNZJN-UHFFFAOYSA-N
MW419.35 g/mol
LogP5.59
Rot. Bonds7

About 1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol

1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol (PubChem CID 90669087) has the molecular formula C22H24Cl2N2O2 and a molecular weight of 419.35 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol
PubChem CID90669087
Molecular FormulaC22H24Cl2N2O2
Molecular Weight419.35 g/mol
Exact Mass418.12
IUPAC Name1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol
SMILESCCN(CC)CC(O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(OC)cc12
InChIInChI=1S/C22H24Cl2N2O2/c1-4-26(5-2)13-22(27)17-12-21(14-6-8-18(23)19(24)10-14)25-20-9-7-15(28-3)11-16(17)20/h6-12,22,27H,4-5,13H2,1-3H3
InChIKeyGAKTURBXMMNZJN-UHFFFAOYSA-N
XLogP5.59
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.35
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol (CID 90669087) is 1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol is CCN(CC)CC(O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(OC)cc12.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol?
The InChIKey is GAKTURBXMMNZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O2/c1-4-26(5-2)13-22(27)17-12-21(14-6-8-18(23)19(24)10-14)25-20-9-7-15(28-3)11-16(17)20/h6-12,22,27H,4-5,13H2,1-3H3.
What are the key properties of 1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol?
1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol has a molecular weight of 419.35 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol is sourced from PubChem (CID 90669087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).