N-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride

C20H23ClIN3O2 — CID 44587572

IUPACN-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1c(I)ccc2c(=O)c3ccccc3[nH]c12.Cl
InChIInChI=1S/C20H22IN3O2.ClH/c1-3-24(4-2)12-11-22-20(26)17-15(21)10-9-14-18(17)23-16-8-6-5-7-13(16)19(14)25;/h5-10H,3-4,11-12H2,1-2H3,(H,22,26)(H,23,25);1H
InChIKeyLJVZLPKMHNEGRU-UHFFFAOYSA-N
MW499.78 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride

N-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride (PubChem CID 44587572) has the molecular formula C20H23ClIN3O2 and a molecular weight of 499.78 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride
PubChem CID44587572
Molecular FormulaC20H23ClIN3O2
Molecular Weight499.78 g/mol
Exact Mass499.05
IUPAC NameN-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1c(I)ccc2c(=O)c3ccccc3[nH]c12.Cl
InChIInChI=1S/C20H22IN3O2.ClH/c1-3-24(4-2)12-11-22-20(26)17-15(21)10-9-14-18(17)23-16-8-6-5-7-13(16)19(14)25;/h5-10H,3-4,11-12H2,1-2H3,(H,22,26)(H,23,25);1H
InChIKeyLJVZLPKMHNEGRU-UHFFFAOYSA-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 ≤ 500499.78
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]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride
CID 44587791
bis(N-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide);2-(3-iodo-2-methoxycarbonylanilino)benzoic acid;methyl 2-amino-6-iodobenzoate;methyl 3-iodo-9-oxo-10H-acridine-4-carboxylate;2-phenyliodoniobenzoate;sulfuric acid;hydrochloride
CID 159063199
N-[2-(diethylamino)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 126458217
6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride
CID 158037327
CID 10617961
CID 10617961
N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721
1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide
CID 11125305
N-[2-(diethylamino)ethyl]-7-hydroxy-1H-indole-2-carboxamide
CID 14444322
N-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride
CID 24797317
N-[2-(diethylamino)ethyl]dibenzothiophene-4-carboxamide;hydrochloride
CID 138398454
N,3-bis[2-(diethylamino)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 5078345
4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one
CID 169316038

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride (CID 44587572) is N-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride is CCN(CC)CCNC(=O)c1c(I)ccc2c(=O)c3ccccc3[nH]c12.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride?
The InChIKey is LJVZLPKMHNEGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22IN3O2.ClH/c1-3-24(4-2)12-11-22-20(26)17-15(21)10-9-14-18(17)23-16-8-6-5-7-13(16)19(14)25;/h5-10H,3-4,11-12H2,1-2H3,(H,22,26)(H,23,25);1H.
What are the key properties of N-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride?
N-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride has a molecular weight of 499.78 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]-3-iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 44587572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).