ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;hydrochloride

C17H24ClN3O2 — CID 13295827

IUPACethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2ccccc2c1NCCCN(C)C.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-4-22-17(21)14-12-19-15-9-6-5-8-13(15)16(14)18-10-7-11-20(2)3;/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,18,19);1H
InChIKeyGLZQMLZMKBMJJS-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.20
Rot. Bonds7

About ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;hydrochloride

ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;hydrochloride (PubChem CID 13295827) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;hydrochloride
PubChem CID13295827
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Nameethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2ccccc2c1NCCCN(C)C.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-4-22-17(21)14-12-19-15-9-6-5-8-13(15)16(14)18-10-7-11-20(2)3;/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,18,19);1H
InChIKeyGLZQMLZMKBMJJS-UHFFFAOYSA-N
XLogP3.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;hydrochloride (CID 13295827) is ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;hydrochloride is CCOC(=O)c1cnc2ccccc2c1NCCCN(C)C.Cl.
What is the InChIKey of ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;hydrochloride?
The InChIKey is GLZQMLZMKBMJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c1-4-22-17(21)14-12-19-15-9-6-5-8-13(15)16(14)18-10-7-11-20(2)3;/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,18,19);1H.
What are the key properties of ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;hydrochloride?
ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate;hydrochloride is sourced from PubChem (CID 13295827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).