7-bromo-5-[[4-(oxolan-2-yl)piperazin-1-yl]methyl]quinolin-8-ol

C18H22BrN3O2 — CID 171541833

IUPAC7-bromo-5-[[4-(oxolan-2-yl)piperazin-1-yl]methyl]quinolin-8-ol
SMILESOc1c(Br)cc(CN2CCN(C3CCCO3)CC2)c2cccnc12
InChIInChI=1S/C18H22BrN3O2/c19-15-11-13(14-3-1-5-20-17(14)18(15)23)12-21-6-8-22(9-7-21)16-4-2-10-24-16/h1,3,5,11,16,23H,2,4,6-10,12H2
InChIKeyWZWALIMFSLZRLP-UHFFFAOYSA-N
MW392.30 g/mol
LogP2.96
Rot. Bonds3

About 7-bromo-5-[[4-(oxolan-2-yl)piperazin-1-yl]methyl]quinolin-8-ol

7-bromo-5-[[4-(oxolan-2-yl)piperazin-1-yl]methyl]quinolin-8-ol (PubChem CID 171541833) has the molecular formula C18H22BrN3O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 7-bromo-5-[[4-(oxolan-2-yl)piperazin-1-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-bromo-5-[[4-(oxolan-2-yl)piperazin-1-yl]methyl]quinolin-8-ol
PubChem CID171541833
Molecular FormulaC18H22BrN3O2
Molecular Weight392.30 g/mol
Exact Mass391.09
IUPAC Name7-bromo-5-[[4-(oxolan-2-yl)piperazin-1-yl]methyl]quinolin-8-ol
SMILESOc1c(Br)cc(CN2CCN(C3CCCO3)CC2)c2cccnc12
InChIInChI=1S/C18H22BrN3O2/c19-15-11-13(14-3-1-5-20-17(14)18(15)23)12-21-6-8-22(9-7-21)16-4-2-10-24-16/h1,3,5,11,16,23H,2,4,6-10,12H2
InChIKeyWZWALIMFSLZRLP-UHFFFAOYSA-N
XLogP2.96
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-[[4-(oxolan-2-yl)piperazin-1-yl]methyl]quinolin-8-ol?
The IUPAC name of 7-bromo-5-[[4-(oxolan-2-yl)piperazin-1-yl]methyl]quinolin-8-ol (CID 171541833) is 7-bromo-5-[[4-(oxolan-2-yl)piperazin-1-yl]methyl]quinolin-8-ol.
What is the SMILES notation for 7-bromo-5-[[4-(oxolan-2-yl)piperazin-1-yl]methyl]quinolin-8-ol?
The canonical SMILES for 7-bromo-5-[[4-(oxolan-2-yl)piperazin-1-yl]methyl]quinolin-8-ol is Oc1c(Br)cc(CN2CCN(C3CCCO3)CC2)c2cccnc12.
What is the InChIKey of 7-bromo-5-[[4-(oxolan-2-yl)piperazin-1-yl]methyl]quinolin-8-ol?
The InChIKey is WZWALIMFSLZRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2/c19-15-11-13(14-3-1-5-20-17(14)18(15)23)12-21-6-8-22(9-7-21)16-4-2-10-24-16/h1,3,5,11,16,23H,2,4,6-10,12H2.
What are the key properties of 7-bromo-5-[[4-(oxolan-2-yl)piperazin-1-yl]methyl]quinolin-8-ol?
7-bromo-5-[[4-(oxolan-2-yl)piperazin-1-yl]methyl]quinolin-8-ol has a molecular weight of 392.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-[[4-(oxolan-2-yl)piperazin-1-yl]methyl]quinolin-8-ol is sourced from PubChem (CID 171541833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).