2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid

C19H17NO5 — CID 82039992

IUPAC2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid
SMILESCOc1cc(-c2ccc(OC)c3ncccc23)cc(C(=O)O)c1OC
InChIInChI=1S/C19H17NO5/c1-23-15-7-6-12(13-5-4-8-20-17(13)15)11-9-14(19(21)22)18(25-3)16(10-11)24-2/h4-10H,1-3H3,(H,21,22)
InChIKeyGITGXSUDOXAAAQ-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.63
Rot. Bonds5

About 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid

2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid (PubChem CID 82039992) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid.

Molecular Properties

Compound Name2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid
PubChem CID82039992
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid
SMILESCOc1cc(-c2ccc(OC)c3ncccc23)cc(C(=O)O)c1OC
InChIInChI=1S/C19H17NO5/c1-23-15-7-6-12(13-5-4-8-20-17(13)15)11-9-14(19(21)22)18(25-3)16(10-11)24-2/h4-10H,1-3H3,(H,21,22)
InChIKeyGITGXSUDOXAAAQ-UHFFFAOYSA-N
XLogP3.63
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde
CID 82039986
3-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039973
5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid
CID 56716559
5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol
CID 142849594
4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide
CID 69175133
5-(2-fluoro-4-hydroxyphenyl)-2,3-dimethoxybenzoic acid
CID 82107186
2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 56717633
5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride
CID 87202475
3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile
CID 39231570
(E)-4-(8-methoxyquinolin-5-yl)-4-oxobut-2-enoic acid
CID 93193155
2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine
CID 82039989
8-oxo-5-(3,4,5-trimethoxyphenyl)pyrano[3,4-b]pyridine-6-carboxylic acid
CID 11152505

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid?
The IUPAC name of 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid (CID 82039992) is 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid.
What is the SMILES notation for 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid?
The canonical SMILES for 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid is COc1cc(-c2ccc(OC)c3ncccc23)cc(C(=O)O)c1OC.
What is the InChIKey of 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid?
The InChIKey is GITGXSUDOXAAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-23-15-7-6-12(13-5-4-8-20-17(13)15)11-9-14(19(21)22)18(25-3)16(10-11)24-2/h4-10H,1-3H3,(H,21,22).
What are the key properties of 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid?
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid has a molecular weight of 339.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid is sourced from PubChem (CID 82039992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).