4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol

C20H22ClN3O — CID 2165

💊View drug profile → amodiaquine
IUPAC4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol
SMILESCCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
InChIInChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)
InChIKeyOVCDSSHSILBFBN-UHFFFAOYSA-N
MW355.87 g/mol
LogP5.18
Rot. Bonds6

About 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol

4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol (PubChem CID 2165) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol.

Molecular Properties

Compound Name4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol
PubChem CID2165
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol
SMILESCCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
InChIInChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)
InChIKeyOVCDSSHSILBFBN-UHFFFAOYSA-N
XLogP5.18
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.87
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

Amodiaquine Hydrochloride
CID 64646
Desethylamodiaquine
CID 122068
Amopyroquine
CID 25194
5-(7-Chloroquinolin-4-ylamino)-2-diethylaminomethylphenol
CID 2166
4-((7-Chloroquinolin-4-yl)amino)-2-((diethylamino)methyl)phenol dihydrochloride
CID 6246
7-Chloro-4-(4-hydroxyanilino)quinoline
CID 224178
Gsk-369796
CID 10316203
Tebuquine
CID 71991
Npc488012
CID 16051921
7-chloro-N-(4-ethoxyphenyl)-4-quinolinamine
CID 711950
Amodiaquine dihydrochloride dihydrate
CID 16218886
Desethyl isoquine
CID 11450263

Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol?
The IUPAC name of 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol (CID 2165) is 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol.
What is the SMILES notation for 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol?
The canonical SMILES for 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol is CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.
What is the InChIKey of 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol?
The InChIKey is OVCDSSHSILBFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23).
What are the key properties of 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol?
4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol has a molecular weight of 355.87 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol is sourced from PubChem (CID 2165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).