3-(2,4-dimethoxyanilino)phthalic acid

C16H15NO6 — CID 58307328

IUPAC3-(2,4-dimethoxyanilino)phthalic acid
SMILESCOc1ccc(Nc2cccc(C(=O)O)c2C(=O)O)c(OC)c1
InChIInChI=1S/C16H15NO6/c1-22-9-6-7-11(13(8-9)23-2)17-12-5-3-4-10(15(18)19)14(12)16(20)21/h3-8,17H,1-2H3,(H,18,19)(H,20,21)
InChIKeySQOKGPJEYZNMQG-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.84
Rot. Bonds6

About 3-(2,4-dimethoxyanilino)phthalic acid

3-(2,4-dimethoxyanilino)phthalic acid (PubChem CID 58307328) has the molecular formula C16H15NO6 and a molecular weight of 317.30 g/mol. Its IUPAC name is 3-(2,4-dimethoxyanilino)phthalic acid.

Molecular Properties

Compound Name3-(2,4-dimethoxyanilino)phthalic acid
PubChem CID58307328
Molecular FormulaC16H15NO6
Molecular Weight317.30 g/mol
Exact Mass317.09
IUPAC Name3-(2,4-dimethoxyanilino)phthalic acid
SMILESCOc1ccc(Nc2cccc(C(=O)O)c2C(=O)O)c(OC)c1
InChIInChI=1S/C16H15NO6/c1-22-9-6-7-11(13(8-9)23-2)17-12-5-3-4-10(15(18)19)14(12)16(20)21/h3-8,17H,1-2H3,(H,18,19)(H,20,21)
InChIKeySQOKGPJEYZNMQG-UHFFFAOYSA-N
XLogP2.84
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(2,4-dimethoxyanilino)phthalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-methoxy-4-(2-pyrrolidin-1-ylethoxy)anilino]phthalic acid
CID 141169733
2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid
CID 62648655
2-[4-[3-(dimethylamino)propoxy]-2-methoxyanilino]-6-ethoxycarbonylbenzoic acid
CID 67228912
4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid
CID 81230836
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402513
dimethyl 3-[2-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,2-dicarboxylate
CID 58307247
2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide
CID 112987942
5-amino-2-(2,4-dimethoxyanilino)benzamide
CID 61312108
2-(2-methoxy-4-methylbenzoyl)-6-(4-methylanilino)benzoic acid
CID 163704227
dimethyl 3-[2-methoxy-4-(2-piperidin-1-ylethoxy)anilino]benzene-1,2-dicarboxylate
CID 58307180

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyanilino)phthalic acid?
The IUPAC name of 3-(2,4-dimethoxyanilino)phthalic acid (CID 58307328) is 3-(2,4-dimethoxyanilino)phthalic acid.
What is the SMILES notation for 3-(2,4-dimethoxyanilino)phthalic acid?
The canonical SMILES for 3-(2,4-dimethoxyanilino)phthalic acid is COc1ccc(Nc2cccc(C(=O)O)c2C(=O)O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyanilino)phthalic acid?
The InChIKey is SQOKGPJEYZNMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6/c1-22-9-6-7-11(13(8-9)23-2)17-12-5-3-4-10(15(18)19)14(12)16(20)21/h3-8,17H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-(2,4-dimethoxyanilino)phthalic acid?
3-(2,4-dimethoxyanilino)phthalic acid has a molecular weight of 317.30 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyanilino)phthalic acid is sourced from PubChem (CID 58307328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).