10-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-iodo-9-oxoacridine-4-carboxamide;hydrochloride

C25H25ClFIN4O3 — CID 140562082

IUPAC10-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-iodo-9-oxoacridine-4-carboxamide;hydrochloride
SMILESCCN(CCOc1cccnc1F)CCn1c2ccc(I)cc2c(=O)c2cccc(C(N)=O)c21.Cl
InChIInChI=1S/C25H24FIN4O3.ClH/c1-2-30(13-14-34-21-7-4-10-29-24(21)26)11-12-31-20-9-8-16(27)15-19(20)23(32)17-5-3-6-18(22(17)31)25(28)33;/h3-10,15H,2,11-14H2,1H3,(H2,28,33);1H
InChIKeyUQDWTQLLVQBTIN-UHFFFAOYSA-N
MW610.86 g/mol
LogP4.22
Rot. Bonds9

About 10-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-iodo-9-oxoacridine-4-carboxamide;hydrochloride

10-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-iodo-9-oxoacridine-4-carboxamide;hydrochloride (PubChem CID 140562082) has the molecular formula C25H25ClFIN4O3 and a molecular weight of 610.86 g/mol. Its IUPAC name is 10-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-iodo-9-oxoacridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name10-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-iodo-9-oxoacridine-4-carboxamide;hydrochloride
PubChem CID140562082
Molecular FormulaC25H25ClFIN4O3
Molecular Weight610.86 g/mol
Exact Mass610.06
IUPAC Name10-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-iodo-9-oxoacridine-4-carboxamide;hydrochloride
SMILESCCN(CCOc1cccnc1F)CCn1c2ccc(I)cc2c(=O)c2cccc(C(N)=O)c21.Cl
InChIInChI=1S/C25H24FIN4O3.ClH/c1-2-30(13-14-34-21-7-4-10-29-24(21)26)11-12-31-20-9-8-16(27)15-19(20)23(32)17-5-3-6-18(22(17)31)25(28)33;/h3-10,15H,2,11-14H2,1H3,(H2,28,33);1H
InChIKeyUQDWTQLLVQBTIN-UHFFFAOYSA-N
XLogP4.22
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.86
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-iodo-9-oxoacridine-4-carboxamide;hydrochloride?
The IUPAC name of 10-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-iodo-9-oxoacridine-4-carboxamide;hydrochloride (CID 140562082) is 10-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-iodo-9-oxoacridine-4-carboxamide;hydrochloride.
What is the SMILES notation for 10-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-iodo-9-oxoacridine-4-carboxamide;hydrochloride?
The canonical SMILES for 10-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-iodo-9-oxoacridine-4-carboxamide;hydrochloride is CCN(CCOc1cccnc1F)CCn1c2ccc(I)cc2c(=O)c2cccc(C(N)=O)c21.Cl.
What is the InChIKey of 10-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-iodo-9-oxoacridine-4-carboxamide;hydrochloride?
The InChIKey is UQDWTQLLVQBTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FIN4O3.ClH/c1-2-30(13-14-34-21-7-4-10-29-24(21)26)11-12-31-20-9-8-16(27)15-19(20)23(32)17-5-3-6-18(22(17)31)25(28)33;/h3-10,15H,2,11-14H2,1H3,(H2,28,33);1H.
What are the key properties of 10-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-iodo-9-oxoacridine-4-carboxamide;hydrochloride?
10-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-iodo-9-oxoacridine-4-carboxamide;hydrochloride has a molecular weight of 610.86 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-7-iodo-9-oxoacridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 140562082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).