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

C21H22BrN3O2 — CID 171541814

IUPAC7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol
SMILESCOc1ccc(N2CCN(Cc3cc(Br)c(O)c4ncccc34)CC2)cc1
InChIInChI=1S/C21H22BrN3O2/c1-27-17-6-4-16(5-7-17)25-11-9-24(10-12-25)14-15-13-19(22)21(26)20-18(15)3-2-8-23-20/h2-8,13,26H,9-12,14H2,1H3
InChIKeyOHUKDCKPMSSANN-UHFFFAOYSA-N
MW428.33 g/mol
LogP4.03
Rot. Bonds4

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

7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol (PubChem CID 171541814) has the molecular formula C21H22BrN3O2 and a molecular weight of 428.33 g/mol. Its IUPAC name is 7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol
PubChem CID171541814
Molecular FormulaC21H22BrN3O2
Molecular Weight428.33 g/mol
Exact Mass427.09
IUPAC Name7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol
SMILESCOc1ccc(N2CCN(Cc3cc(Br)c(O)c4ncccc34)CC2)cc1
InChIInChI=1S/C21H22BrN3O2/c1-27-17-6-4-16(5-7-17)25-11-9-24(10-12-25)14-15-13-19(22)21(26)20-18(15)3-2-8-23-20/h2-8,13,26H,9-12,14H2,1H3
InChIKeyOHUKDCKPMSSANN-UHFFFAOYSA-N
XLogP4.03
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 18131319
8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 171541804
5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol
CID 18830094
5-bromo-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 3287143
7-bromo-5-[[4-(oxolan-2-yl)piperazin-1-yl]methyl]quinolin-8-ol
CID 171541833
7-bromo-8-methyl-5-[(3-phenylimidazolidin-1-yl)methyl]quinoline
CID 174246213
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 8587506
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol
CID 3470863
5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol
CID 131987078
5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol
CID 171541715
ethyl 4-[[7-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-8-hydroxyquinolin-5-yl]methyl]piperazine-1-carboxylate
CID 3471245

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol?
The IUPAC name of 7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol (CID 171541814) is 7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol.
What is the SMILES notation for 7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol?
The canonical SMILES for 7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol is COc1ccc(N2CCN(Cc3cc(Br)c(O)c4ncccc34)CC2)cc1.
What is the InChIKey of 7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol?
The InChIKey is OHUKDCKPMSSANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O2/c1-27-17-6-4-16(5-7-17)25-11-9-24(10-12-25)14-15-13-19(22)21(26)20-18(15)3-2-8-23-20/h2-8,13,26H,9-12,14H2,1H3.
What are the key properties of 7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol?
7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol has a molecular weight of 428.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol is sourced from PubChem (CID 171541814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).