5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride

C22H29Cl2N3O2 — CID 24845907

IUPAC5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CCc2c(cccc2OCCCN2CCN(c3ccccc3)CC2)N1
InChIInChI=1S/C22H27N3O2.2ClH/c26-22-11-10-19-20(23-22)8-4-9-21(19)27-17-5-12-24-13-15-25(16-14-24)18-6-2-1-3-7-18;;/h1-4,6-9H,5,10-17H2,(H,23,26);2*1H
InChIKeyDAYOMAQYQQGSOL-UHFFFAOYSA-N
MW438.40 g/mol
LogP4.01
Rot. Bonds6

About 5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride

5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride (PubChem CID 24845907) has the molecular formula C22H29Cl2N3O2 and a molecular weight of 438.40 g/mol. Its IUPAC name is 5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride.

Molecular Properties

Compound Name5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride
PubChem CID24845907
Molecular FormulaC22H29Cl2N3O2
Molecular Weight438.40 g/mol
Exact Mass437.16
IUPAC Name5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CCc2c(cccc2OCCCN2CCN(c3ccccc3)CC2)N1
InChIInChI=1S/C22H27N3O2.2ClH/c26-22-11-10-19-20(23-22)8-4-9-21(19)27-17-5-12-24-13-15-25(16-14-24)18-6-2-1-3-7-18;;/h1-4,6-9H,5,10-17H2,(H,23,26);2*1H
InChIKeyDAYOMAQYQQGSOL-UHFFFAOYSA-N
XLogP4.01
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899529
8-bromo-5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 21242981
5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 3060986
6-chloro-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899492
8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one
CID 21243031
7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073818
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
CID 14014460
4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
CID 132601710
5-[3-(1-methyl-4-phenylpiperidin-1-ium-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 13064810
6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 45264711
ethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate
CID 12821844

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride?
The IUPAC name of 5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride (CID 24845907) is 5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride.
What is the SMILES notation for 5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride?
The canonical SMILES for 5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride is Cl.Cl.O=C1CCc2c(cccc2OCCCN2CCN(c3ccccc3)CC2)N1.
What is the InChIKey of 5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride?
The InChIKey is DAYOMAQYQQGSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.2ClH/c26-22-11-10-19-20(23-22)8-4-9-21(19)27-17-5-12-24-13-15-25(16-14-24)18-6-2-1-3-7-18;;/h1-4,6-9H,5,10-17H2,(H,23,26);2*1H.
What are the key properties of 5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride?
5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride has a molecular weight of 438.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride is sourced from PubChem (CID 24845907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).