N-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride

C20H23ClIN3O2 — CID 44587791

IUPACN-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1cccc2c(=O)c3cc([125I])ccc3[nH]c12.Cl
InChIInChI=1S/C20H22IN3O2.ClH/c1-3-24(4-2)11-10-22-20(26)15-7-5-6-14-18(15)23-17-9-8-13(21)12-16(17)19(14)25;/h5-9,12H,3-4,10-11H2,1-2H3,(H,22,26)(H,23,25);1H/i21-2;
InChIKeyUCFZNYDVCSPDJW-FRVBVOKESA-N
MW497.78 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride

N-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride (PubChem CID 44587791) has the molecular formula C20H23ClIN3O2 and a molecular weight of 497.78 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride
PubChem CID44587791
Molecular FormulaC20H23ClIN3O2
Molecular Weight497.78 g/mol
Exact Mass497.05
IUPAC NameN-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1cccc2c(=O)c3cc([125I])ccc3[nH]c12.Cl
InChIInChI=1S/C20H22IN3O2.ClH/c1-3-24(4-2)11-10-22-20(26)15-7-5-6-14-18(15)23-17-9-8-13(21)12-16(17)19(14)25;/h5-9,12H,3-4,10-11H2,1-2H3,(H,22,26)(H,23,25);1H/i21-2;
InChIKeyUCFZNYDVCSPDJW-FRVBVOKESA-N
XLogP3.78
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.78
LogP ≤ 53.78
H-Bond Donors ≤ 52
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

N-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride
CID 44587572
6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride
CID 158037327
6-acetyl-N-[2-(dimethylamino)ethyl]-9H-carbazole-1-carboxamide;hydrochloride
CID 11164261
N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane
CID 143617094
N-[2-(diethylamino)ethyl]-7-(125I)iodophenazine-1-carboxamide
CID 59228758
N-[2-(diethylamino)ethyl]dibenzothiophene-4-carboxamide;hydrochloride
CID 138398454
N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721
N-[5-(diethylamino)pentyl]naphthalene-1-carboxamide
CID 110440172
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
N-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide
CID 70658321
3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
CID 21331733
N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride
CID 24879197

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride (CID 44587791) is N-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride is CCN(CC)CCNC(=O)c1cccc2c(=O)c3cc([125I])ccc3[nH]c12.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride?
The InChIKey is UCFZNYDVCSPDJW-FRVBVOKESA-N. The full InChI is InChI=1S/C20H22IN3O2.ClH/c1-3-24(4-2)11-10-22-20(26)15-7-5-6-14-18(15)23-17-9-8-13(21)12-16(17)19(14)25;/h5-9,12H,3-4,10-11H2,1-2H3,(H,22,26)(H,23,25);1H/i21-2;.
What are the key properties of N-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride?
N-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride has a molecular weight of 497.78 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 44587791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).