1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid

C22H17NO4 — CID 23057240

IUPAC1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid
SMILESCOc1cccc(-c2cccc3nc4ccccc4c(C(=O)O)c23)c1OC
InChIInChI=1S/C22H17NO4/c1-26-18-12-6-9-14(21(18)27-2)13-8-5-11-17-19(13)20(22(24)25)15-7-3-4-10-16(15)23-17/h3-12H,1-2H3,(H,24,25)
InChIKeySBAFZDHALDCXKK-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.77
Rot. Bonds4

About 1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid

1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid (PubChem CID 23057240) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid
PubChem CID23057240
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid
SMILESCOc1cccc(-c2cccc3nc4ccccc4c(C(=O)O)c23)c1OC
InChIInChI=1S/C22H17NO4/c1-26-18-12-6-9-14(21(18)27-2)13-8-5-11-17-19(13)20(22(24)25)15-7-3-4-10-16(15)23-17/h3-12H,1-2H3,(H,24,25)
InChIKeySBAFZDHALDCXKK-UHFFFAOYSA-N
XLogP4.77
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-(2,3-dimethoxyphenyl)acridine-9-carboxylic 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

1-(4-fluorophenyl)acridine-9-carboxylic acid
CID 90871706
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
benzo[a]acridine-12-carboxylic acid
CID 54569893
2-amino-6-methoxybenzoic acid;5-methoxy-2-naphthalen-1-yl-3,1-benzoxazin-4-one
CID 160663275
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid
CID 54588453
2-acridin-9-yl-6-methoxyaniline
CID 150368327
methyl acridine-9-carboxylate
CID 21211
4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 122558064
O-(2-methoxyphenyl) acridine-9-carbothioate
CID 54375962
acetic acid;1-methoxyphenazine
CID 174937212
2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370419

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid?
The IUPAC name of 1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid (CID 23057240) is 1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid is COc1cccc(-c2cccc3nc4ccccc4c(C(=O)O)c23)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid?
The InChIKey is SBAFZDHALDCXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c1-26-18-12-6-9-14(21(18)27-2)13-8-5-11-17-19(13)20(22(24)25)15-7-3-4-10-16(15)23-17/h3-12H,1-2H3,(H,24,25).
What are the key properties of 1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid?
1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid has a molecular weight of 359.38 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid is sourced from PubChem (CID 23057240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).