7-[(4-benzylpiperazin-1-yl)methyl]quinolin-8-ol

C21H23N3O — CID 3464194

IUPAC7-[(4-benzylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESOc1c(CN2CCN(Cc3ccccc3)CC2)ccc2cccnc12
InChIInChI=1S/C21H23N3O/c25-21-19(9-8-18-7-4-10-22-20(18)21)16-24-13-11-23(12-14-24)15-17-5-2-1-3-6-17/h1-10,25H,11-16H2
InChIKeyPWSBESQKEQTQNB-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.26
Rot. Bonds4

About 7-[(4-benzylpiperazin-1-yl)methyl]quinolin-8-ol

7-[(4-benzylpiperazin-1-yl)methyl]quinolin-8-ol (PubChem CID 3464194) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 7-[(4-benzylpiperazin-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-benzylpiperazin-1-yl)methyl]quinolin-8-ol
PubChem CID3464194
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name7-[(4-benzylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESOc1c(CN2CCN(Cc3ccccc3)CC2)ccc2cccnc12
InChIInChI=1S/C21H23N3O/c25-21-19(9-8-18-7-4-10-22-20(18)21)16-24-13-11-23(12-14-24)15-17-5-2-1-3-6-17/h1-10,25H,11-16H2
InChIKeyPWSBESQKEQTQNB-UHFFFAOYSA-N
XLogP3.26
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-benzylpiperazin-1-yl)methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-benzylpiperazin-1-yl)methyl]quinolin-8-ol (CID 3464194) is 7-[(4-benzylpiperazin-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-benzylpiperazin-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-benzylpiperazin-1-yl)methyl]quinolin-8-ol is Oc1c(CN2CCN(Cc3ccccc3)CC2)ccc2cccnc12.
What is the InChIKey of 7-[(4-benzylpiperazin-1-yl)methyl]quinolin-8-ol?
The InChIKey is PWSBESQKEQTQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-21-19(9-8-18-7-4-10-22-20(18)21)16-24-13-11-23(12-14-24)15-17-5-2-1-3-6-17/h1-10,25H,11-16H2.
What are the key properties of 7-[(4-benzylpiperazin-1-yl)methyl]quinolin-8-ol?
7-[(4-benzylpiperazin-1-yl)methyl]quinolin-8-ol has a molecular weight of 333.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-benzylpiperazin-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 3464194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).