5-bromo-7-[(4-methylpiperidin-1-ium-1-yl)methyl]quinolin-8-olate

C16H19BrN2O — CID 34935092

IUPAC5-bromo-7-[(4-methylpiperidin-1-ium-1-yl)methyl]quinolin-8-olate
SMILESCC1CC[NH+](Cc2cc(Br)c3cccnc3c2[O-])CC1
InChIInChI=1S/C16H19BrN2O/c1-11-4-7-19(8-5-11)10-12-9-14(17)13-3-2-6-18-15(13)16(12)20/h2-3,6,9,11,20H,4-5,7-8,10H2,1H3
InChIKeyHJAULWFIMTZQGT-UHFFFAOYSA-N
MW335.25 g/mol
LogP1.89
Rot. Bonds2

About 5-bromo-7-[(4-methylpiperidin-1-ium-1-yl)methyl]quinolin-8-olate

5-bromo-7-[(4-methylpiperidin-1-ium-1-yl)methyl]quinolin-8-olate (PubChem CID 34935092) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-bromo-7-[(4-methylpiperidin-1-ium-1-yl)methyl]quinolin-8-olate.

Molecular Properties

Compound Name5-bromo-7-[(4-methylpiperidin-1-ium-1-yl)methyl]quinolin-8-olate
PubChem CID34935092
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name5-bromo-7-[(4-methylpiperidin-1-ium-1-yl)methyl]quinolin-8-olate
SMILESCC1CC[NH+](Cc2cc(Br)c3cccnc3c2[O-])CC1
InChIInChI=1S/C16H19BrN2O/c1-11-4-7-19(8-5-11)10-12-9-14(17)13-3-2-6-18-15(13)16(12)20/h2-3,6,9,11,20H,4-5,7-8,10H2,1H3
InChIKeyHJAULWFIMTZQGT-UHFFFAOYSA-N
XLogP1.89
TPSA40.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-7-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol
CID 4148781
copper;bis(7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate);dichloride
CID 139173667
1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium
CID 7297807
5,7-dibromo-8-methoxyquinoline
CID 10805403
5,7-dibromo-8-but-2-enoxyquinoline
CID 4859559
1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium
CID 7321439
5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol
CID 18830094
bis(5,7-dibromoquinolin-8-olate);lanthanum(3+);bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);nitrate
CID 139052993
7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol
CID 4142078
5-bromo-8-methoxy-7-methylquinoline
CID 90145888
N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine
CID 112617689
N-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine
CID 112617700

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[(4-methylpiperidin-1-ium-1-yl)methyl]quinolin-8-olate?
The IUPAC name of 5-bromo-7-[(4-methylpiperidin-1-ium-1-yl)methyl]quinolin-8-olate (CID 34935092) is 5-bromo-7-[(4-methylpiperidin-1-ium-1-yl)methyl]quinolin-8-olate.
What is the SMILES notation for 5-bromo-7-[(4-methylpiperidin-1-ium-1-yl)methyl]quinolin-8-olate?
The canonical SMILES for 5-bromo-7-[(4-methylpiperidin-1-ium-1-yl)methyl]quinolin-8-olate is CC1CC[NH+](Cc2cc(Br)c3cccnc3c2[O-])CC1.
What is the InChIKey of 5-bromo-7-[(4-methylpiperidin-1-ium-1-yl)methyl]quinolin-8-olate?
The InChIKey is HJAULWFIMTZQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-11-4-7-19(8-5-11)10-12-9-14(17)13-3-2-6-18-15(13)16(12)20/h2-3,6,9,11,20H,4-5,7-8,10H2,1H3.
What are the key properties of 5-bromo-7-[(4-methylpiperidin-1-ium-1-yl)methyl]quinolin-8-olate?
5-bromo-7-[(4-methylpiperidin-1-ium-1-yl)methyl]quinolin-8-olate has a molecular weight of 335.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[(4-methylpiperidin-1-ium-1-yl)methyl]quinolin-8-olate is sourced from PubChem (CID 34935092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).