3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid

C22H16N2O5 — CID 159563478

IUPAC3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2cc1Oc1cc2cccc(C(=O)O)c2nc1C
InChIInChI=1S/C22H16N2O5/c1-11-17(9-13-5-3-7-15(21(25)26)19(13)23-11)29-18-10-14-6-4-8-16(22(27)28)20(14)24-12(18)2/h3-10H,1-2H3,(H,25,26)(H,27,28)
InChIKeyABNCWTMSBODVKI-UHFFFAOYSA-N
MW388.38 g/mol
LogP4.59
Rot. Bonds4

About 3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid

3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid (PubChem CID 159563478) has the molecular formula C22H16N2O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is 3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid.

Molecular Properties

Compound Name3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid
PubChem CID159563478
Molecular FormulaC22H16N2O5
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC Name3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2cc1Oc1cc2cccc(C(=O)O)c2nc1C
InChIInChI=1S/C22H16N2O5/c1-11-17(9-13-5-3-7-15(21(25)26)19(13)23-11)29-18-10-14-6-4-8-16(22(27)28)20(14)24-12(18)2/h3-10H,1-2H3,(H,25,26)(H,27,28)
InChIKeyABNCWTMSBODVKI-UHFFFAOYSA-N
XLogP4.59
TPSA109.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride
CID 119031045
[1,2]thiazolo[5,4-b]quinoline-8-carboxylic acid
CID 11424722
2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
CID 91868096
1,5-dimethylacridine-4-carboxylic acid
CID 10634490
3-(2-bromophenoxy)-8-fluoro-2-methylquinoline
CID 129079654
3-iodoquinoline-8-carboxylic acid
CID 130624702
2-ethoxycarbonylquinoline-8-carboxylic acid
CID 141289138
2-amino-8-methoxyquinoline-3-carboxylic acid
CID 84622747
quinoline-2,8-dicarboxylic acid
CID 19033995
3-phenylquinoline-2,8-dicarboxylic acid
CID 15456153
2-(2-methylquinolin-4-yl)oxybenzoic acid
CID 61395430
3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid
CID 63206053

Frequently Asked Questions

What is the IUPAC name of 3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid?
The IUPAC name of 3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid (CID 159563478) is 3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid.
What is the SMILES notation for 3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid?
The canonical SMILES for 3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid is Cc1nc2c(C(=O)O)cccc2cc1Oc1cc2cccc(C(=O)O)c2nc1C.
What is the InChIKey of 3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid?
The InChIKey is ABNCWTMSBODVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O5/c1-11-17(9-13-5-3-7-15(21(25)26)19(13)23-11)29-18-10-14-6-4-8-16(22(27)28)20(14)24-12(18)2/h3-10H,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid?
3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid has a molecular weight of 388.38 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid is sourced from PubChem (CID 159563478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).