9-(5-amino-2-methylanilino)-5-methylacridine-4-carboxylic acid

C22H19N3O2 — CID 87747349

IUPAC9-(5-amino-2-methylanilino)-5-methylacridine-4-carboxylic acid
SMILESCc1ccc(N)cc1Nc1c2cccc(C)c2nc2c(C(=O)O)cccc12
InChIInChI=1S/C22H19N3O2/c1-12-9-10-14(23)11-18(12)24-20-15-6-3-5-13(2)19(15)25-21-16(20)7-4-8-17(21)22(26)27/h3-11H,23H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyQAEWJXZGWVGPLY-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.03
Rot. Bonds3

About 9-(5-amino-2-methylanilino)-5-methylacridine-4-carboxylic acid

9-(5-amino-2-methylanilino)-5-methylacridine-4-carboxylic acid (PubChem CID 87747349) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 9-(5-amino-2-methylanilino)-5-methylacridine-4-carboxylic acid.

Molecular Properties

Compound Name9-(5-amino-2-methylanilino)-5-methylacridine-4-carboxylic acid
PubChem CID87747349
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name9-(5-amino-2-methylanilino)-5-methylacridine-4-carboxylic acid
SMILESCc1ccc(N)cc1Nc1c2cccc(C)c2nc2c(C(=O)O)cccc12
InChIInChI=1S/C22H19N3O2/c1-12-9-10-14(23)11-18(12)24-20-15-6-3-5-13(2)19(15)25-21-16(20)7-4-8-17(21)22(26)27/h3-11H,23H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyQAEWJXZGWVGPLY-UHFFFAOYSA-N
XLogP5.03
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,6-Dimethylquinoline-3-carboxylic acid
CID 3159812
2-Methyl-3-quinolinecarboxylic acid
CID 1481999
2,7-Dimethylquinoline-3-carboxylic acid
CID 818247
3-(9-Acridinylamino)benzoic acid
CID 149241
2-[2-(2,4-Dimethylanilino)-2-oxoethyl]-4-quinolinecarboxylic acid
CID 778217
2-Methylquinoline-6-carboxylic acid
CID 604483
Methyl 4-((2,6-dimethylquinolin-4-yl)amino)benzoate hydrochloride
CID 2789795
Ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate
CID 705510
4-[(4-Phenylquinazolin-2-yl)amino]benzoic acid
CID 776448
2-[(2-phenylquinoline-4-carbonyl)amino]benzoic Acid
CID 2305705
1-(8-Hydroxymethyl-4-o-tolylamino-quinolin-3-yl)-2-methyl-propan-1-one
CID 10246289
3-Butyryl-4-(2-methylphenylamino)-8-hydroxymethylquinoline
CID 10427010

Frequently Asked Questions

What is the IUPAC name of 9-(5-amino-2-methylanilino)-5-methylacridine-4-carboxylic acid?
The IUPAC name of 9-(5-amino-2-methylanilino)-5-methylacridine-4-carboxylic acid (CID 87747349) is 9-(5-amino-2-methylanilino)-5-methylacridine-4-carboxylic acid.
What is the SMILES notation for 9-(5-amino-2-methylanilino)-5-methylacridine-4-carboxylic acid?
The canonical SMILES for 9-(5-amino-2-methylanilino)-5-methylacridine-4-carboxylic acid is Cc1ccc(N)cc1Nc1c2cccc(C)c2nc2c(C(=O)O)cccc12.
What is the InChIKey of 9-(5-amino-2-methylanilino)-5-methylacridine-4-carboxylic acid?
The InChIKey is QAEWJXZGWVGPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-12-9-10-14(23)11-18(12)24-20-15-6-3-5-13(2)19(15)25-21-16(20)7-4-8-17(21)22(26)27/h3-11H,23H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 9-(5-amino-2-methylanilino)-5-methylacridine-4-carboxylic acid?
9-(5-amino-2-methylanilino)-5-methylacridine-4-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 5.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-amino-2-methylanilino)-5-methylacridine-4-carboxylic acid is sourced from PubChem (CID 87747349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).