(5,7-dibromo-6-methylquinolin-8-yl)oxystibonic acid

C10H8Br2NO4Sb — CID 20836064

IUPAC(5,7-dibromo-6-methylquinolin-8-yl)oxystibonic acid
SMILESCc1c(Br)c(O[Sb](=O)(O)O)c2ncccc2c1Br
InChIInChI=1S/C10H7Br2NO.2H2O.O.Sb/c1-5-7(11)6-3-2-4-13-9(6)10(14)8(5)12;;;;/h2-4,14H,1H3;2*1H2;;/q;;;;+3/p-3
InChIKeyHHJLUXSDAYJYHA-UHFFFAOYSA-K
MW487.75 g/mol
LogP2.30
Rot. Bonds2

About (5,7-dibromo-6-methylquinolin-8-yl)oxystibonic acid

(5,7-dibromo-6-methylquinolin-8-yl)oxystibonic acid (PubChem CID 20836064) has the molecular formula C10H8Br2NO4Sb and a molecular weight of 487.75 g/mol. Its IUPAC name is (5,7-dibromo-6-methylquinolin-8-yl)oxystibonic acid.

Molecular Properties

Compound Name(5,7-dibromo-6-methylquinolin-8-yl)oxystibonic acid
PubChem CID20836064
Molecular FormulaC10H8Br2NO4Sb
Molecular Weight487.75 g/mol
Exact Mass484.79
IUPAC Name(5,7-dibromo-6-methylquinolin-8-yl)oxystibonic acid
SMILESCc1c(Br)c(O[Sb](=O)(O)O)c2ncccc2c1Br
InChIInChI=1S/C10H7Br2NO.2H2O.O.Sb/c1-5-7(11)6-3-2-4-13-9(6)10(14)8(5)12;;;;/h2-4,14H,1H3;2*1H2;;/q;;;;+3/p-3
InChIKeyHHJLUXSDAYJYHA-UHFFFAOYSA-K
XLogP2.30
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.75
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
5,6-dimethyl-1,7-phenanthroline
CID 67494959
5-bromo-8-methyl-6-nitroquinoline
CID 11207866
6-methylquinoline-5,7,8-triol
CID 137159814
5,7-diamino-6-methylquinolin-8-ol
CID 23063822
7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one
CID 142818668
5-bromo-8-methoxy-7-methylquinoline
CID 90145888
5,7-dibromo-8-methoxyquinoline
CID 10805403
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457
2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide
CID 7866129
bis(2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene);ruthenium;hexakis(3,4,7,8-tetramethyl-1,10-phenanthroline)
CID 165088824
(4-methyl-[1,3]dioxolo[4,5-h]quinolin-5-yl) acetate
CID 177422455

Frequently Asked Questions

What is the IUPAC name of (5,7-dibromo-6-methylquinolin-8-yl)oxystibonic acid?
The IUPAC name of (5,7-dibromo-6-methylquinolin-8-yl)oxystibonic acid (CID 20836064) is (5,7-dibromo-6-methylquinolin-8-yl)oxystibonic acid.
What is the SMILES notation for (5,7-dibromo-6-methylquinolin-8-yl)oxystibonic acid?
The canonical SMILES for (5,7-dibromo-6-methylquinolin-8-yl)oxystibonic acid is Cc1c(Br)c(O[Sb](=O)(O)O)c2ncccc2c1Br.
What is the InChIKey of (5,7-dibromo-6-methylquinolin-8-yl)oxystibonic acid?
The InChIKey is HHJLUXSDAYJYHA-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H7Br2NO.2H2O.O.Sb/c1-5-7(11)6-3-2-4-13-9(6)10(14)8(5)12;;;;/h2-4,14H,1H3;2*1H2;;/q;;;;+3/p-3.
What are the key properties of (5,7-dibromo-6-methylquinolin-8-yl)oxystibonic acid?
(5,7-dibromo-6-methylquinolin-8-yl)oxystibonic acid has a molecular weight of 487.75 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dibromo-6-methylquinolin-8-yl)oxystibonic acid is sourced from PubChem (CID 20836064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).