ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride

C20H28ClN3O3 — CID 2790729

IUPACethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1NCCCN1CCOCC1.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-3-26-20(24)17-14-22-18-6-5-15(2)13-16(18)19(17)21-7-4-8-23-9-11-25-12-10-23;/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,22);1H
InChIKeyHBHUBXYAZDSQIW-UHFFFAOYSA-N
MW393.92 g/mol
LogP3.28
Rot. Bonds7

About ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride

ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride (PubChem CID 2790729) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride
PubChem CID2790729
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC Nameethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1NCCCN1CCOCC1.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-3-26-20(24)17-14-22-18-6-5-15(2)13-16(18)19(17)21-7-4-8-23-9-11-25-12-10-23;/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,22);1H
InChIKeyHBHUBXYAZDSQIW-UHFFFAOYSA-N
XLogP3.28
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;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 ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride (CID 2790729) is ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride is CCOC(=O)c1cnc2ccc(C)cc2c1NCCCN1CCOCC1.Cl.
What is the InChIKey of ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride?
The InChIKey is HBHUBXYAZDSQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3.ClH/c1-3-26-20(24)17-14-22-18-6-5-15(2)13-16(18)19(17)21-7-4-8-23-9-11-25-12-10-23;/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,22);1H.
What are the key properties of ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride?
ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride is sourced from PubChem (CID 2790729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).