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

C23H30ClN3O3 — CID 24845902

IUPAC5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride
SMILESCN1C(=O)CCc2c(OCC(O)CN3CCN(c4ccccc4)CC3)cccc21.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-24-21-8-5-9-22(20(21)10-11-23(24)28)29-17-19(27)16-25-12-14-26(15-13-25)18-6-3-2-4-7-18;/h2-9,19,27H,10-17H2,1H3;1H
InChIKeyQBLDAJMRNGUBTO-UHFFFAOYSA-N
MW431.96 g/mol
LogP2.58
Rot. Bonds6

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

5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride (PubChem CID 24845902) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is 5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride.

Molecular Properties

Compound Name5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride
PubChem CID24845902
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC Name5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride
SMILESCN1C(=O)CCc2c(OCC(O)CN3CCN(c4ccccc4)CC3)cccc21.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-24-21-8-5-9-22(20(21)10-11-23(24)28)29-17-19(27)16-25-12-14-26(15-13-25)18-6-3-2-4-7-18;/h2-9,19,27H,10-17H2,1H3;1H
InChIKeyQBLDAJMRNGUBTO-UHFFFAOYSA-N
XLogP2.58
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one;oxalic acid
CID 12899470
1-benzyl-5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;hydrochloride
CID 24845900
1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 16807023
(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-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2882652
bis[1-(4-benzylpiperidin-1-yl)-3-[(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)oxy]propan-2-yl] oxalate
CID 57310468
1-[4-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 991632
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 45283774
6-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-7-methoxychromen-2-one
CID 19927697
1-[4-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 7060493
1-(2,4-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dichloride
CID 21237602

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride?
The IUPAC name of 5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride (CID 24845902) is 5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride.
What is the SMILES notation for 5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride?
The canonical SMILES for 5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride is CN1C(=O)CCc2c(OCC(O)CN3CCN(c4ccccc4)CC3)cccc21.Cl.
What is the InChIKey of 5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride?
The InChIKey is QBLDAJMRNGUBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3.ClH/c1-24-21-8-5-9-22(20(21)10-11-23(24)28)29-17-19(27)16-25-12-14-26(15-13-25)18-6-3-2-4-7-18;/h2-9,19,27H,10-17H2,1H3;1H.
What are the key properties of 5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride?
5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride has a molecular weight of 431.96 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride is sourced from PubChem (CID 24845902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).