5-chloro-7-(diethylaminomethyl)quinolin-8-ol

C14H17ClN2O — CID 716637

IUPAC5-chloro-7-(diethylaminomethyl)quinolin-8-ol
SMILESCCN(CC)Cc1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C14H17ClN2O/c1-3-17(4-2)9-10-8-12(15)11-6-5-7-16-13(11)14(10)18/h5-8,18H,3-4,9H2,1-2H3
InChIKeyQDFFXEIFWNNJJU-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.44
Rot. Bonds4

About 5-chloro-7-(diethylaminomethyl)quinolin-8-ol

5-chloro-7-(diethylaminomethyl)quinolin-8-ol (PubChem CID 716637) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-chloro-7-(diethylaminomethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-(diethylaminomethyl)quinolin-8-ol
PubChem CID716637
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name5-chloro-7-(diethylaminomethyl)quinolin-8-ol
SMILESCCN(CC)Cc1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C14H17ClN2O/c1-3-17(4-2)9-10-8-12(15)11-6-5-7-16-13(11)14(10)18/h5-8,18H,3-4,9H2,1-2H3
InChIKeyQDFFXEIFWNNJJU-UHFFFAOYSA-N
XLogP3.44
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-7-(diethylaminomethyl)quinolin-8-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(diethylaminomethyl)quinolin-8-ol?
The IUPAC name of 5-chloro-7-(diethylaminomethyl)quinolin-8-ol (CID 716637) is 5-chloro-7-(diethylaminomethyl)quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-(diethylaminomethyl)quinolin-8-ol?
The canonical SMILES for 5-chloro-7-(diethylaminomethyl)quinolin-8-ol is CCN(CC)Cc1cc(Cl)c2cccnc2c1O.
What is the InChIKey of 5-chloro-7-(diethylaminomethyl)quinolin-8-ol?
The InChIKey is QDFFXEIFWNNJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-3-17(4-2)9-10-8-12(15)11-6-5-7-16-13(11)14(10)18/h5-8,18H,3-4,9H2,1-2H3.
What are the key properties of 5-chloro-7-(diethylaminomethyl)quinolin-8-ol?
5-chloro-7-(diethylaminomethyl)quinolin-8-ol has a molecular weight of 264.76 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(diethylaminomethyl)quinolin-8-ol is sourced from PubChem (CID 716637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).