6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid

C21H16N2O5 — CID 59813662

IUPAC6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid
SMILESCOc1cc2nccc(Oc3ccc4ncc(C(=O)O)cc4c3)c2cc1OC
InChIInChI=1S/C21H16N2O5/c1-26-19-9-15-17(10-20(19)27-2)22-6-5-18(15)28-14-3-4-16-12(8-14)7-13(11-23-16)21(24)25/h3-11H,1-2H3,(H,24,25)
InChIKeyRXUNXBKNRSNBNM-UHFFFAOYSA-N
MW376.37 g/mol
LogP4.29
Rot. Bonds5

About 6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid

6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid (PubChem CID 59813662) has the molecular formula C21H16N2O5 and a molecular weight of 376.37 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid
PubChem CID59813662
Molecular FormulaC21H16N2O5
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC Name6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid
SMILESCOc1cc2nccc(Oc3ccc4ncc(C(=O)O)cc4c3)c2cc1OC
InChIInChI=1S/C21H16N2O5/c1-26-19-9-15-17(10-20(19)27-2)22-6-5-18(15)28-14-3-4-16-12(8-14)7-13(11-23-16)21(24)25/h3-11H,1-2H3,(H,24,25)
InChIKeyRXUNXBKNRSNBNM-UHFFFAOYSA-N
XLogP4.29
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide
CID 59813469
N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-2-carboxamide
CID 67520391
6,7-dimethoxy-4-quinolin-3-yloxyquinoline
CID 23078609
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid
CID 23078521
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone
CID 22132745
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11387053
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide
CID 59813488
methane;4,6,7-trimethoxyquinoline
CID 157066291

Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid?
The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid (CID 59813662) is 6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid.
What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid?
The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid is COc1cc2nccc(Oc3ccc4ncc(C(=O)O)cc4c3)c2cc1OC.
What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid?
The InChIKey is RXUNXBKNRSNBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O5/c1-26-19-9-15-17(10-20(19)27-2)22-6-5-18(15)28-14-3-4-16-12(8-14)7-13(11-23-16)21(24)25/h3-11H,1-2H3,(H,24,25).
What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid?
6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid has a molecular weight of 376.37 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid is sourced from PubChem (CID 59813662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).