5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol

C23H25N3O — CID 4269194

IUPAC5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol
SMILESOc1ccc(CN2CCN(CC=Cc3ccccc3)CC2)c2cccnc12
InChIInChI=1S/C23H25N3O/c27-22-11-10-20(21-9-4-12-24-23(21)22)18-26-16-14-25(15-17-26)13-5-8-19-6-2-1-3-7-19/h1-12,27H,13-18H2
InChIKeyAUCPEDIALNUZEP-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.77
Rot. Bonds5

About 5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol

5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol (PubChem CID 4269194) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol
PubChem CID4269194
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol
SMILESOc1ccc(CN2CCN(CC=Cc3ccccc3)CC2)c2cccnc12
InChIInChI=1S/C23H25N3O/c27-22-11-10-20(21-9-4-12-24-23(21)22)18-26-16-14-25(15-17-26)13-5-8-19-6-2-1-3-7-19/h1-12,27H,13-18H2
InChIKeyAUCPEDIALNUZEP-UHFFFAOYSA-N
XLogP3.77
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 2213235
5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol
CID 171541808
methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol
CID 142849611
4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
CID 782278
1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 1376874
5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol
CID 171541715
tert-butyl 4-[(8-hydroxyquinolin-5-yl)methyl]piperazine-1-carboxylate;bis(2,2,2-trifluoroacetic acid)
CID 46742371
CID 174887707
CID 174887707
[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6038045
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
CID 92904353

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol?
The IUPAC name of 5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol (CID 4269194) is 5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol?
The canonical SMILES for 5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol is Oc1ccc(CN2CCN(CC=Cc3ccccc3)CC2)c2cccnc12.
What is the InChIKey of 5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol?
The InChIKey is AUCPEDIALNUZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c27-22-11-10-20(21-9-4-12-24-23(21)22)18-26-16-14-25(15-17-26)13-5-8-19-6-2-1-3-7-19/h1-12,27H,13-18H2.
What are the key properties of 5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol?
5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol has a molecular weight of 359.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol is sourced from PubChem (CID 4269194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).