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

C16H20BrN3O — CID 18830094

IUPAC5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESCCN1CCN(Cc2cc(Br)c3cccnc3c2O)CC1
InChIInChI=1S/C16H20BrN3O/c1-2-19-6-8-20(9-7-19)11-12-10-14(17)13-4-3-5-18-15(13)16(12)21/h3-5,10,21H,2,6-9,11H2,1H3
InChIKeyDWDBQOFUEIZRLF-UHFFFAOYSA-N
MW350.26 g/mol
LogP2.84
Rot. Bonds3

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

5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol (PubChem CID 18830094) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol
PubChem CID18830094
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESCCN1CCN(Cc2cc(Br)c3cccnc3c2O)CC1
InChIInChI=1S/C16H20BrN3O/c1-2-19-6-8-20(9-7-19)11-12-10-14(17)13-4-3-5-18-15(13)16(12)21/h3-5,10,21H,2,6-9,11H2,1H3
InChIKeyDWDBQOFUEIZRLF-UHFFFAOYSA-N
XLogP2.84
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 52.84
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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Related Compounds

5-bromo-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 3287143
5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol
CID 3470863
5-methyl-7-(piperidin-1-ylmethyl)quinolin-8-ol
CID 23765907
5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride
CID 131888000
ethyl 4-[[7-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-8-hydroxyquinolin-5-yl]methyl]piperazine-1-carboxylate
CID 3471245
7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
CID 176719632
7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 171541814
5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 716609
5-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol
CID 23604739
2-bromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol
CID 82974919
7-bromo-5-[[4-(oxolan-2-yl)piperazin-1-yl]methyl]quinolin-8-ol
CID 171541833
5-bromo-7-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol
CID 4148781

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol?
The IUPAC name of 5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol (CID 18830094) is 5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for 5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol is CCN1CCN(Cc2cc(Br)c3cccnc3c2O)CC1.
What is the InChIKey of 5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol?
The InChIKey is DWDBQOFUEIZRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-2-19-6-8-20(9-7-19)11-12-10-14(17)13-4-3-5-18-15(13)16(12)21/h3-5,10,21H,2,6-9,11H2,1H3.
What are the key properties of 5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol?
5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol has a molecular weight of 350.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 18830094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).