4-[(7-chloroquinolin-4-yl)methyl]-2-(ethylaminomethyl)phenol

C19H19ClN2O — CID 44581176

IUPAC4-[(7-chloroquinolin-4-yl)methyl]-2-(ethylaminomethyl)phenol
SMILESCCNCc1cc(Cc2ccnc3cc(Cl)ccc23)ccc1O
InChIInChI=1S/C19H19ClN2O/c1-2-21-12-15-10-13(3-6-19(15)23)9-14-7-8-22-18-11-16(20)4-5-17(14)18/h3-8,10-11,21,23H,2,9,12H2,1H3
InChIKeyUJOUCKBOLUFWOX-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.29
Rot. Bonds5

About 4-[(7-chloroquinolin-4-yl)methyl]-2-(ethylaminomethyl)phenol

4-[(7-chloroquinolin-4-yl)methyl]-2-(ethylaminomethyl)phenol (PubChem CID 44581176) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 4-[(7-chloroquinolin-4-yl)methyl]-2-(ethylaminomethyl)phenol.

Molecular Properties

Compound Name4-[(7-chloroquinolin-4-yl)methyl]-2-(ethylaminomethyl)phenol
PubChem CID44581176
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name4-[(7-chloroquinolin-4-yl)methyl]-2-(ethylaminomethyl)phenol
SMILESCCNCc1cc(Cc2ccnc3cc(Cl)ccc23)ccc1O
InChIInChI=1S/C19H19ClN2O/c1-2-21-12-15-10-13(3-6-19(15)23)9-14-7-8-22-18-11-16(20)4-5-17(14)18/h3-8,10-11,21,23H,2,9,12H2,1H3
InChIKeyUJOUCKBOLUFWOX-UHFFFAOYSA-N
XLogP4.29
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(7-chloroquinolin-4-yl)methyl]-2-(ethylaminomethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Amodiaquine
CID 2165
Amodiaquine Hydrochloride
CID 64646
Amopyroquine
CID 25194
Desethylamodiaquine
CID 122068
Tebuquine
CID 71991
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
4-(4-Hydroxy-3-methylphenyl)quinolin-7-ol
CID 135567366
Npc488012
CID 16051921
Amodiaquine dihydrochloride dihydrate
CID 16218886

Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloroquinolin-4-yl)methyl]-2-(ethylaminomethyl)phenol?
The IUPAC name of 4-[(7-chloroquinolin-4-yl)methyl]-2-(ethylaminomethyl)phenol (CID 44581176) is 4-[(7-chloroquinolin-4-yl)methyl]-2-(ethylaminomethyl)phenol.
What is the SMILES notation for 4-[(7-chloroquinolin-4-yl)methyl]-2-(ethylaminomethyl)phenol?
The canonical SMILES for 4-[(7-chloroquinolin-4-yl)methyl]-2-(ethylaminomethyl)phenol is CCNCc1cc(Cc2ccnc3cc(Cl)ccc23)ccc1O.
What is the InChIKey of 4-[(7-chloroquinolin-4-yl)methyl]-2-(ethylaminomethyl)phenol?
The InChIKey is UJOUCKBOLUFWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-2-21-12-15-10-13(3-6-19(15)23)9-14-7-8-22-18-11-16(20)4-5-17(14)18/h3-8,10-11,21,23H,2,9,12H2,1H3.
What are the key properties of 4-[(7-chloroquinolin-4-yl)methyl]-2-(ethylaminomethyl)phenol?
4-[(7-chloroquinolin-4-yl)methyl]-2-(ethylaminomethyl)phenol has a molecular weight of 326.83 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloroquinolin-4-yl)methyl]-2-(ethylaminomethyl)phenol is sourced from PubChem (CID 44581176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).