6-bromo-1-(1-oxidoquinolin-1-ium-8-yl)naphthalen-2-ol

C19H12BrNO2 — CID 177395737

IUPAC6-bromo-1-(1-oxidoquinolin-1-ium-8-yl)naphthalen-2-ol
SMILES[O-][n+]1cccc2cccc(-c3c(O)ccc4cc(Br)ccc34)c21
InChIInChI=1S/C19H12BrNO2/c20-14-7-8-15-13(11-14)6-9-17(22)18(15)16-5-1-3-12-4-2-10-21(23)19(12)16/h1-11,22H
InChIKeyJOZLTJZIIIFMTE-UHFFFAOYSA-N
MW366.21 g/mol
LogP4.76
Rot. Bonds1

About 6-bromo-1-(1-oxidoquinolin-1-ium-8-yl)naphthalen-2-ol

6-bromo-1-(1-oxidoquinolin-1-ium-8-yl)naphthalen-2-ol (PubChem CID 177395737) has the molecular formula C19H12BrNO2 and a molecular weight of 366.21 g/mol. Its IUPAC name is 6-bromo-1-(1-oxidoquinolin-1-ium-8-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-1-(1-oxidoquinolin-1-ium-8-yl)naphthalen-2-ol
PubChem CID177395737
Molecular FormulaC19H12BrNO2
Molecular Weight366.21 g/mol
Exact Mass365.01
IUPAC Name6-bromo-1-(1-oxidoquinolin-1-ium-8-yl)naphthalen-2-ol
SMILES[O-][n+]1cccc2cccc(-c3c(O)ccc4cc(Br)ccc34)c21
InChIInChI=1S/C19H12BrNO2/c20-14-7-8-15-13(11-14)6-9-17(22)18(15)16-5-1-3-12-4-2-10-21(23)19(12)16/h1-11,22H
InChIKeyJOZLTJZIIIFMTE-UHFFFAOYSA-N
XLogP4.76
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene
CID 158239097
1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol
CID 117490329
1-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol
CID 136928596
7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11189978
N-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide
CID 156768686
3-bromoanthracen-9-ol
CID 23035853
hexakis(6-bromo-1-(6-bromo-2-oxidonaphthalen-1-yl)naphthalen-2-olate);tetrakis(zirconium(4+));tetrahydroxide
CID 25055484
2-bromo-1-(7-bromonaphthalen-1-yl)naphthalene
CID 139178070
3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101402327
1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol
CID 67157613
6-bromo-3-[[7-bromo-4-(6-bromo-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methoxymethyl]-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101427403
4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586021

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(1-oxidoquinolin-1-ium-8-yl)naphthalen-2-ol?
The IUPAC name of 6-bromo-1-(1-oxidoquinolin-1-ium-8-yl)naphthalen-2-ol (CID 177395737) is 6-bromo-1-(1-oxidoquinolin-1-ium-8-yl)naphthalen-2-ol.
What is the SMILES notation for 6-bromo-1-(1-oxidoquinolin-1-ium-8-yl)naphthalen-2-ol?
The canonical SMILES for 6-bromo-1-(1-oxidoquinolin-1-ium-8-yl)naphthalen-2-ol is [O-][n+]1cccc2cccc(-c3c(O)ccc4cc(Br)ccc34)c21.
What is the InChIKey of 6-bromo-1-(1-oxidoquinolin-1-ium-8-yl)naphthalen-2-ol?
The InChIKey is JOZLTJZIIIFMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrNO2/c20-14-7-8-15-13(11-14)6-9-17(22)18(15)16-5-1-3-12-4-2-10-21(23)19(12)16/h1-11,22H.
What are the key properties of 6-bromo-1-(1-oxidoquinolin-1-ium-8-yl)naphthalen-2-ol?
6-bromo-1-(1-oxidoquinolin-1-ium-8-yl)naphthalen-2-ol has a molecular weight of 366.21 g/mol, XLogP of 4.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(1-oxidoquinolin-1-ium-8-yl)naphthalen-2-ol is sourced from PubChem (CID 177395737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).