6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid

C22H16N2O5 — CID 4639551

IUPAC6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cc(Oc3ccc4nc(C)cc(C(=O)O)c4c3)ccc2n1
InChIInChI=1S/C22H16N2O5/c1-11-7-17(21(25)26)15-9-13(3-5-19(15)23-11)29-14-4-6-20-16(10-14)18(22(27)28)8-12(2)24-20/h3-10H,1-2H3,(H,25,26)(H,27,28)
InChIKeyZLPCKLDKJLIOLI-UHFFFAOYSA-N
MW388.38 g/mol
LogP4.59
Rot. Bonds4

About 6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid

6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid (PubChem CID 4639551) has the molecular formula C22H16N2O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is 6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
PubChem CID4639551
Molecular FormulaC22H16N2O5
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC Name6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cc(Oc3ccc4nc(C)cc(C(=O)O)c4c3)ccc2n1
InChIInChI=1S/C22H16N2O5/c1-11-7-17(21(25)26)15-9-13(3-5-19(15)23-11)29-14-4-6-20-16(10-14)18(22(27)28)8-12(2)24-20/h3-10H,1-2H3,(H,25,26)(H,27,28)
InChIKeyZLPCKLDKJLIOLI-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

4-carboxy-2-methylquinolin-6-olate
CID 54706535
6-(disulfanyl)-2-methylquinoline-4-carboxylic acid
CID 123387411
methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82667452
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250
N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide
CID 82574511
(4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 111459532
2-methyl-6-(4-methylphenoxy)quinolin-4-amine
CID 62197727
4-chloro-2-methyl-6-(4-methylphenoxy)quinoline
CID 43668795
6-butyl-2-methylquinoline-4-carboxylic acid
CID 4572965
benzyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 164676582
cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 75422217
phenyl 2,6-dimethylquinoline-4-carboxylate
CID 18076219

Frequently Asked Questions

What is the IUPAC name of 6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid?
The IUPAC name of 6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid (CID 4639551) is 6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid?
The canonical SMILES for 6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid is Cc1cc(C(=O)O)c2cc(Oc3ccc4nc(C)cc(C(=O)O)c4c3)ccc2n1.
What is the InChIKey of 6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid?
The InChIKey is ZLPCKLDKJLIOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O5/c1-11-7-17(21(25)26)15-9-13(3-5-19(15)23-11)29-14-4-6-20-16(10-14)18(22(27)28)8-12(2)24-20/h3-10H,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid?
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-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 6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 4639551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).