N-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride

C17H23Cl2N3O2 — CID 68999918

IUPACN-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride
SMILESCCOCC(=O)Nc1cnc2ccccc2c1NCCCCCl.Cl
InChIInChI=1S/C17H22ClN3O2.ClH/c1-2-23-12-16(22)21-15-11-20-14-8-4-3-7-13(14)17(15)19-10-6-5-9-18;/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H,19,20)(H,21,22);1H
InChIKeySOOXJCZLLDHBRG-UHFFFAOYSA-N
MW372.30 g/mol
LogP4.06
Rot. Bonds9

About N-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride

N-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride (PubChem CID 68999918) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is N-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride
PubChem CID68999918
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC NameN-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride
SMILESCCOCC(=O)Nc1cnc2ccccc2c1NCCCCCl.Cl
InChIInChI=1S/C17H22ClN3O2.ClH/c1-2-23-12-16(22)21-15-11-20-14-8-4-3-7-13(14)17(15)19-10-6-5-9-18;/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H,19,20)(H,21,22);1H
InChIKeySOOXJCZLLDHBRG-UHFFFAOYSA-N
XLogP4.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride 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 N-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride?
The IUPAC name of N-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride (CID 68999918) is N-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride.
What is the SMILES notation for N-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride?
The canonical SMILES for N-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride is CCOCC(=O)Nc1cnc2ccccc2c1NCCCCCl.Cl.
What is the InChIKey of N-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride?
The InChIKey is SOOXJCZLLDHBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2.ClH/c1-2-23-12-16(22)21-15-11-20-14-8-4-3-7-13(14)17(15)19-10-6-5-9-18;/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H,19,20)(H,21,22);1H.
What are the key properties of N-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride?
N-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride has a molecular weight of 372.30 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride is sourced from PubChem (CID 68999918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).