N-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide

C16H14IN3O2 — CID 70658321

IUPACN-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide
SMILESNCCNC(=O)c1cccc2c(=O)c3cccc(I)c3[nH]c12
InChIInChI=1S/C16H14IN3O2/c17-12-6-2-4-10-14(12)20-13-9(15(10)21)3-1-5-11(13)16(22)19-8-7-18/h1-6H,7-8,18H2,(H,19,22)(H,20,21)
InChIKeyMHQNAQNEMLWPLS-UHFFFAOYSA-N
MW407.21 g/mol
LogP1.97
Rot. Bonds3

About N-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide

N-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide (PubChem CID 70658321) has the molecular formula C16H14IN3O2 and a molecular weight of 407.21 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide
PubChem CID70658321
Molecular FormulaC16H14IN3O2
Molecular Weight407.21 g/mol
Exact Mass407.01
IUPAC NameN-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide
SMILESNCCNC(=O)c1cccc2c(=O)c3cccc(I)c3[nH]c12
InChIInChI=1S/C16H14IN3O2/c17-12-6-2-4-10-14(12)20-13-9(15(10)21)3-1-5-11(13)16(22)19-8-7-18/h1-6H,7-8,18H2,(H,19,22)(H,20,21)
InChIKeyMHQNAQNEMLWPLS-UHFFFAOYSA-N
XLogP1.97
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.21
LogP ≤ 51.97
H-Bond Donors ≤ 53
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

6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride
CID 158037327
1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide
CID 12964331
N-(2-diethoxyphosphorylethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide
CID 59835576
N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 130634637
N-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride
CID 44587791
5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide
CID 75511227
N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60965324
N-(2-aminoethyl)-1-benzothiophene-4-carboxamide
CID 53397320
5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide
CID 167935882
N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide
CID 134097117
N-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide
CID 167965304
N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 111471562

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide (CID 70658321) is N-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide is NCCNC(=O)c1cccc2c(=O)c3cccc(I)c3[nH]c12.
What is the InChIKey of N-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide?
The InChIKey is MHQNAQNEMLWPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14IN3O2/c17-12-6-2-4-10-14(12)20-13-9(15(10)21)3-1-5-11(13)16(22)19-8-7-18/h1-6H,7-8,18H2,(H,19,22)(H,20,21).
What are the key properties of N-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide?
N-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide has a molecular weight of 407.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide is sourced from PubChem (CID 70658321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).