methyl 6-iodoacridine-4-carboxylate

C15H10INO2 — CID 59228701

IUPACmethyl 6-iodoacridine-4-carboxylate
SMILESCOC(=O)c1cccc2cc3ccc(I)cc3nc12
InChIInChI=1S/C15H10INO2/c1-19-15(18)12-4-2-3-10-7-9-5-6-11(16)8-13(9)17-14(10)12/h2-8H,1H3
InChIKeyGJAQJTZBHPOFPW-UHFFFAOYSA-N
MW363.15 g/mol
LogP3.78
Rot. Bonds1

About methyl 6-iodoacridine-4-carboxylate

methyl 6-iodoacridine-4-carboxylate (PubChem CID 59228701) has the molecular formula C15H10INO2 and a molecular weight of 363.15 g/mol. Its IUPAC name is methyl 6-iodoacridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-iodoacridine-4-carboxylate
PubChem CID59228701
Molecular FormulaC15H10INO2
Molecular Weight363.15 g/mol
Exact Mass362.98
IUPAC Namemethyl 6-iodoacridine-4-carboxylate
SMILESCOC(=O)c1cccc2cc3ccc(I)cc3nc12
InChIInChI=1S/C15H10INO2/c1-19-15(18)12-4-2-3-10-7-9-5-6-11(16)8-13(9)17-14(10)12/h2-8H,1H3
InChIKeyGJAQJTZBHPOFPW-UHFFFAOYSA-N
XLogP3.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.15
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl acridine-1-carboxylate
CID 54560619
methyl cinnoline-8-carboxylate
CID 133080920
6-fluoroacridine-4-carboxamide
CID 174361752
6-bromoacridine-4-carboxamide
CID 174344835
4-methoxycarbonyl-1H-benzimidazole-2-carboxylic acid
CID 18354914
methyl 2-amino-8-methylquinoline-3-carboxylate
CID 135393173
acridine-4-carboxamide
CID 3025721
methyl 2-amino-8-fluoroquinoline-3-carboxylate
CID 135392236
methyl 2-fluoro-5-iodobenzoate
CID 24820379
argon;methyl 2-hydroxy-4-iodobenzoate
CID 159067231
methyl 5-iodo-2-(2-methoxy-2-oxoethyl)benzoate
CID 15373786
methyl 2-[(1S)-1-hydroxyethyl]-1H-benzimidazole-4-carboxylate
CID 115357702

Frequently Asked Questions

What is the IUPAC name of methyl 6-iodoacridine-4-carboxylate?
The IUPAC name of methyl 6-iodoacridine-4-carboxylate (CID 59228701) is methyl 6-iodoacridine-4-carboxylate.
What is the SMILES notation for methyl 6-iodoacridine-4-carboxylate?
The canonical SMILES for methyl 6-iodoacridine-4-carboxylate is COC(=O)c1cccc2cc3ccc(I)cc3nc12.
What is the InChIKey of methyl 6-iodoacridine-4-carboxylate?
The InChIKey is GJAQJTZBHPOFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10INO2/c1-19-15(18)12-4-2-3-10-7-9-5-6-11(16)8-13(9)17-14(10)12/h2-8H,1H3.
What are the key properties of methyl 6-iodoacridine-4-carboxylate?
methyl 6-iodoacridine-4-carboxylate has a molecular weight of 363.15 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-iodoacridine-4-carboxylate is sourced from PubChem (CID 59228701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).