1-ethyl-5-[3-(3-hydroxypropylamino)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride

C17H27ClN2O3 — CID 70543564

IUPAC1-ethyl-5-[3-(3-hydroxypropylamino)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride
SMILESCCN1C(=O)CCc2c(OCCCNCCCO)cccc21.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-2-19-15-6-3-7-16(14(15)8-9-17(19)21)22-13-5-11-18-10-4-12-20;/h3,6-7,18,20H,2,4-5,8-13H2,1H3;1H
InChIKeyVZKJLNUCLUXZGC-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.15
Rot. Bonds9

About 1-ethyl-5-[3-(3-hydroxypropylamino)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride

1-ethyl-5-[3-(3-hydroxypropylamino)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride (PubChem CID 70543564) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 1-ethyl-5-[3-(3-hydroxypropylamino)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride.

Molecular Properties

Compound Name1-ethyl-5-[3-(3-hydroxypropylamino)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride
PubChem CID70543564
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name1-ethyl-5-[3-(3-hydroxypropylamino)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride
SMILESCCN1C(=O)CCc2c(OCCCNCCCO)cccc21.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-2-19-15-6-3-7-16(14(15)8-9-17(19)21)22-13-5-11-18-10-4-12-20;/h3,6-7,18,20H,2,4-5,8-13H2,1H3;1H
InChIKeyVZKJLNUCLUXZGC-UHFFFAOYSA-N
XLogP2.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-ethyl-5-[3-(3-hydroxypropylamino)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride?
The IUPAC name of 1-ethyl-5-[3-(3-hydroxypropylamino)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride (CID 70543564) is 1-ethyl-5-[3-(3-hydroxypropylamino)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride.
What is the SMILES notation for 1-ethyl-5-[3-(3-hydroxypropylamino)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride?
The canonical SMILES for 1-ethyl-5-[3-(3-hydroxypropylamino)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride is CCN1C(=O)CCc2c(OCCCNCCCO)cccc21.Cl.
What is the InChIKey of 1-ethyl-5-[3-(3-hydroxypropylamino)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride?
The InChIKey is VZKJLNUCLUXZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-2-19-15-6-3-7-16(14(15)8-9-17(19)21)22-13-5-11-18-10-4-12-20;/h3,6-7,18,20H,2,4-5,8-13H2,1H3;1H.
What are the key properties of 1-ethyl-5-[3-(3-hydroxypropylamino)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride?
1-ethyl-5-[3-(3-hydroxypropylamino)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[3-(3-hydroxypropylamino)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride is sourced from PubChem (CID 70543564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).