1-benzyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride

C29H34ClN3O3 — CID 24845900

IUPAC1-benzyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride
SMILESCl.O=C1CCc2c(OCC(O)CN3CCN(c4ccccc4)CC3)cccc2N1Cc1ccccc1
InChIInChI=1S/C29H33N3O3.ClH/c33-25(21-30-16-18-31(19-17-30)24-10-5-2-6-11-24)22-35-28-13-7-12-27-26(28)14-15-29(34)32(27)20-23-8-3-1-4-9-23;/h1-13,25,33H,14-22H2;1H
InChIKeyKLPMKICTGFUUMG-UHFFFAOYSA-N
MW508.06 g/mol
LogP4.15
Rot. Bonds8

About 1-benzyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride

1-benzyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride (PubChem CID 24845900) has the molecular formula C29H34ClN3O3 and a molecular weight of 508.06 g/mol. Its IUPAC name is 1-benzyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride.

Molecular Properties

Compound Name1-benzyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride
PubChem CID24845900
Molecular FormulaC29H34ClN3O3
Molecular Weight508.06 g/mol
Exact Mass507.23
IUPAC Name1-benzyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride
SMILESCl.O=C1CCc2c(OCC(O)CN3CCN(c4ccccc4)CC3)cccc2N1Cc1ccccc1
InChIInChI=1S/C29H33N3O3.ClH/c33-25(21-30-16-18-31(19-17-30)24-10-5-2-6-11-24)22-35-28-13-7-12-27-26(28)14-15-29(34)32(27)20-23-8-3-1-4-9-23;/h1-13,25,33H,14-22H2;1H
InChIKeyKLPMKICTGFUUMG-UHFFFAOYSA-N
XLogP4.15
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.06
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride
CID 24845902
5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one;oxalic acid
CID 12899470
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 4024808
1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 16807023
1-[2-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]ethanone;dihydrochloride
CID 2966841
1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2882652
[2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 10598951
1-[4-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 991632
1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidine-2,5-dione
CID 10247408

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride?
The IUPAC name of 1-benzyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride (CID 24845900) is 1-benzyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride.
What is the SMILES notation for 1-benzyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride?
The canonical SMILES for 1-benzyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride is Cl.O=C1CCc2c(OCC(O)CN3CCN(c4ccccc4)CC3)cccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride?
The InChIKey is KLPMKICTGFUUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3.ClH/c33-25(21-30-16-18-31(19-17-30)24-10-5-2-6-11-24)22-35-28-13-7-12-27-26(28)14-15-29(34)32(27)20-23-8-3-1-4-9-23;/h1-13,25,33H,14-22H2;1H.
What are the key properties of 1-benzyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride?
1-benzyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride has a molecular weight of 508.06 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride is sourced from PubChem (CID 24845900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).