2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid

C19H17NO6 — CID 23078521

IUPAC2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid
SMILESCOc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C(=O)O)c1
InChIInChI=1S/C19H17NO6/c1-23-11-4-5-15(13(8-11)19(21)22)26-16-6-7-20-14-10-18(25-3)17(24-2)9-12(14)16/h4-10H,1-3H3,(H,21,22)
InChIKeyDOKZVARICGNCOU-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.75
Rot. Bonds6

About 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid

2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid (PubChem CID 23078521) has the molecular formula C19H17NO6 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid
PubChem CID23078521
Molecular FormulaC19H17NO6
Molecular Weight355.35 g/mol
Exact Mass355.11
IUPAC Name2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid
SMILESCOc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C(=O)O)c1
InChIInChI=1S/C19H17NO6/c1-23-11-4-5-15(13(8-11)19(21)22)26-16-6-7-20-14-10-18(25-3)17(24-2)9-12(14)16/h4-10H,1-3H3,(H,21,22)
InChIKeyDOKZVARICGNCOU-UHFFFAOYSA-N
XLogP3.75
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone
CID 24879272
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde
CID 23078274
4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 123279032
4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 141052127
4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 11268045
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid
CID 59813662
methane;4,6,7-trimethoxyquinoline
CID 157066291
[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
CID 23156626
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid?
The IUPAC name of 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid (CID 23078521) is 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid.
What is the SMILES notation for 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid?
The canonical SMILES for 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid is COc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C(=O)O)c1.
What is the InChIKey of 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid?
The InChIKey is DOKZVARICGNCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6/c1-23-11-4-5-15(13(8-11)19(21)22)26-16-6-7-20-14-10-18(25-3)17(24-2)9-12(14)16/h4-10H,1-3H3,(H,21,22).
What are the key properties of 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid?
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid has a molecular weight of 355.35 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid is sourced from PubChem (CID 23078521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).