3-(7-bromo-4-carboxyquinolin-2-yl)naphthalen-2-olate

C20H11BrNO3- — CID 135827965

IUPAC3-(7-bromo-4-carboxyquinolin-2-yl)naphthalen-2-olate
SMILESO=C(O)c1cc(-c2cc3ccccc3cc2[O-])nc2cc(Br)ccc12
InChIInChI=1S/C20H12BrNO3/c21-13-5-6-14-15(20(24)25)10-18(22-17(14)9-13)16-7-11-3-1-2-4-12(11)8-19(16)23/h1-10,23H,(H,24,25)/p-1
InChIKeyUWUQFFLODYRIIJ-UHFFFAOYSA-M
MW393.22 g/mol
LogP4.59
Rot. Bonds2

About 3-(7-bromo-4-carboxyquinolin-2-yl)naphthalen-2-olate

3-(7-bromo-4-carboxyquinolin-2-yl)naphthalen-2-olate (PubChem CID 135827965) has the molecular formula C20H11BrNO3- and a molecular weight of 393.22 g/mol. Its IUPAC name is 3-(7-bromo-4-carboxyquinolin-2-yl)naphthalen-2-olate.

Molecular Properties

Compound Name3-(7-bromo-4-carboxyquinolin-2-yl)naphthalen-2-olate
PubChem CID135827965
Molecular FormulaC20H11BrNO3-
Molecular Weight393.22 g/mol
Exact Mass391.99
IUPAC Name3-(7-bromo-4-carboxyquinolin-2-yl)naphthalen-2-olate
SMILESO=C(O)c1cc(-c2cc3ccccc3cc2[O-])nc2cc(Br)ccc12
InChIInChI=1S/C20H12BrNO3/c21-13-5-6-14-15(20(24)25)10-18(22-17(14)9-13)16-7-11-3-1-2-4-12(11)8-19(16)23/h1-10,23H,(H,24,25)/p-1
InChIKeyUWUQFFLODYRIIJ-UHFFFAOYSA-M
XLogP4.59
TPSA73.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid
CID 994225
7-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 4504347
6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 3972726
7-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid
CID 83118689
2-(6-bromo-2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-7-methylquinoline-4-carboxylic acid
CID 164679714
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
zinc;bis(3-carboxynaphthalen-2-olate);dihydrate
CID 54706140
2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid
CID 63462811
2-(6-bromo-2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-7-ethylquinoline-4-carboxylic acid
CID 164679514
6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide
CID 91689273
7-bromo-2-cyclohexylquinoline-4-carboxylic acid
CID 43805508
6-bromo-2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)quinoline-4-carboxylic acid
CID 58487630

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-4-carboxyquinolin-2-yl)naphthalen-2-olate?
The IUPAC name of 3-(7-bromo-4-carboxyquinolin-2-yl)naphthalen-2-olate (CID 135827965) is 3-(7-bromo-4-carboxyquinolin-2-yl)naphthalen-2-olate.
What is the SMILES notation for 3-(7-bromo-4-carboxyquinolin-2-yl)naphthalen-2-olate?
The canonical SMILES for 3-(7-bromo-4-carboxyquinolin-2-yl)naphthalen-2-olate is O=C(O)c1cc(-c2cc3ccccc3cc2[O-])nc2cc(Br)ccc12.
What is the InChIKey of 3-(7-bromo-4-carboxyquinolin-2-yl)naphthalen-2-olate?
The InChIKey is UWUQFFLODYRIIJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H12BrNO3/c21-13-5-6-14-15(20(24)25)10-18(22-17(14)9-13)16-7-11-3-1-2-4-12(11)8-19(16)23/h1-10,23H,(H,24,25)/p-1.
What are the key properties of 3-(7-bromo-4-carboxyquinolin-2-yl)naphthalen-2-olate?
3-(7-bromo-4-carboxyquinolin-2-yl)naphthalen-2-olate has a molecular weight of 393.22 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-4-carboxyquinolin-2-yl)naphthalen-2-olate is sourced from PubChem (CID 135827965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).