1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride

C24H33Cl2N3O2 — CID 12899515

IUPAC1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride
SMILESCCN1C(=O)CCc2ccc(OCCCN3CCN(c4ccccc4)CC3)cc21.Cl.Cl
InChIInChI=1S/C24H31N3O2.2ClH/c1-2-27-23-19-22(11-9-20(23)10-12-24(27)28)29-18-6-13-25-14-16-26(17-15-25)21-7-4-3-5-8-21;;/h3-5,7-9,11,19H,2,6,10,12-18H2,1H3;2*1H
InChIKeyOAAAIKKLZCJWOR-UHFFFAOYSA-N
MW466.45 g/mol
LogP4.42
Rot. Bonds7

About 1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride

1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride (PubChem CID 12899515) has the molecular formula C24H33Cl2N3O2 and a molecular weight of 466.45 g/mol. Its IUPAC name is 1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride
PubChem CID12899515
Molecular FormulaC24H33Cl2N3O2
Molecular Weight466.45 g/mol
Exact Mass465.19
IUPAC Name1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride
SMILESCCN1C(=O)CCc2ccc(OCCCN3CCN(c4ccccc4)CC3)cc21.Cl.Cl
InChIInChI=1S/C24H31N3O2.2ClH/c1-2-27-23-19-22(11-9-20(23)10-12-24(27)28)29-18-6-13-25-14-16-26(17-15-25)21-7-4-3-5-8-21;;/h3-5,7-9,11,19H,2,6,10,12-18H2,1H3;2*1H
InChIKeyOAAAIKKLZCJWOR-UHFFFAOYSA-N
XLogP4.42
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydroquinolin-2-one
CID 90654937
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one
CID 10645430
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride
CID 45260941
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
3-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]propanal
CID 176723102
[7-[4-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl 2-methylbutanoate
CID 155107928
1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride
CID 45260980
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl 2-aminopropanoate
CID 58096612
1-benzyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-2H-quinoline
CID 44589460
7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899489
[7-[4-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl N-methylcarbamate
CID 155107760

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride?
The IUPAC name of 1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride (CID 12899515) is 1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride.
What is the SMILES notation for 1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride?
The canonical SMILES for 1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride is CCN1C(=O)CCc2ccc(OCCCN3CCN(c4ccccc4)CC3)cc21.Cl.Cl.
What is the InChIKey of 1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride?
The InChIKey is OAAAIKKLZCJWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2.2ClH/c1-2-27-23-19-22(11-9-20(23)10-12-24(27)28)29-18-6-13-25-14-16-26(17-15-25)21-7-4-3-5-8-21;;/h3-5,7-9,11,19H,2,6,10,12-18H2,1H3;2*1H.
What are the key properties of 1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride?
1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride has a molecular weight of 466.45 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride is sourced from PubChem (CID 12899515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).