2-ethoxy-6-nitro-9-(pyridin-4-ylmethyl)acridine;iodomethane

C22H20IN3O3 — CID 23621119

IUPAC2-ethoxy-6-nitro-9-(pyridin-4-ylmethyl)acridine;iodomethane
SMILESCCOc1ccc2nc3cc([N+](=O)[O-])ccc3c(Cc3ccncc3)c2c1.CI
InChIInChI=1S/C21H17N3O3.CH3I/c1-2-27-16-4-6-20-19(13-16)18(11-14-7-9-22-10-8-14)17-5-3-15(24(25)26)12-21(17)23-20;1-2/h3-10,12-13H,2,11H2,1H3;1H3
InChIKeyGBMKZBJAPURDFN-UHFFFAOYSA-N
MW501.32 g/mol
LogP5.73
Rot. Bonds5

About 2-ethoxy-6-nitro-9-(pyridin-4-ylmethyl)acridine;iodomethane

2-ethoxy-6-nitro-9-(pyridin-4-ylmethyl)acridine;iodomethane (PubChem CID 23621119) has the molecular formula C22H20IN3O3 and a molecular weight of 501.32 g/mol. Its IUPAC name is 2-ethoxy-6-nitro-9-(pyridin-4-ylmethyl)acridine;iodomethane.

Molecular Properties

Compound Name2-ethoxy-6-nitro-9-(pyridin-4-ylmethyl)acridine;iodomethane
PubChem CID23621119
Molecular FormulaC22H20IN3O3
Molecular Weight501.32 g/mol
Exact Mass501.05
IUPAC Name2-ethoxy-6-nitro-9-(pyridin-4-ylmethyl)acridine;iodomethane
SMILESCCOc1ccc2nc3cc([N+](=O)[O-])ccc3c(Cc3ccncc3)c2c1.CI
InChIInChI=1S/C21H17N3O3.CH3I/c1-2-27-16-4-6-20-19(13-16)18(11-14-7-9-22-10-8-14)17-5-3-15(24(25)26)12-21(17)23-20;1-2/h3-10,12-13H,2,11H2,1H3;1H3
InChIKeyGBMKZBJAPURDFN-UHFFFAOYSA-N
XLogP5.73
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.32
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-ethoxy-6-nitro-9-(pyridin-4-ylmethyl)acridine;iodomethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-6-ethoxy-3-nitroquinoline
CID 97181878
4-ethoxy-2-methylsulfanyl-7-nitroquinazoline
CID 139217051
4-chloro-6-ethoxy-3-nitroquinoline
CID 102614031
2-(4-ethoxyphenyl)-6-nitro-1H-benzimidazole
CID 110539368
1-(4-ethoxyphenyl)sulfonyl-5-nitrobenzimidazole
CID 846998
2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride
CID 11953608
7-ethoxy-3-N,3-N,9-N,9-N-tetrahydroxyacridine-3,9-diamine
CID 170245037
2,4-diethyl-6-nitro-3-propylquinoline
CID 125452460
9-[(2-methoxy-4-nitrophenyl)methyl]acridine
CID 158713992
7-ethoxy-9-N-(5-nitro-2-pyridinyl)-9-N-phenylacridine-3,9-diamine;(2S)-2-hydroxypropanoic acid
CID 18645577
5-nitro-2-(pyridin-4-ylmethyl)benzoic acid
CID 121325118
(4-ethoxy-2-hydroxyphenyl)-(3-nitrophenyl)methanone
CID 141155514

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-nitro-9-(pyridin-4-ylmethyl)acridine;iodomethane?
The IUPAC name of 2-ethoxy-6-nitro-9-(pyridin-4-ylmethyl)acridine;iodomethane (CID 23621119) is 2-ethoxy-6-nitro-9-(pyridin-4-ylmethyl)acridine;iodomethane.
What is the SMILES notation for 2-ethoxy-6-nitro-9-(pyridin-4-ylmethyl)acridine;iodomethane?
The canonical SMILES for 2-ethoxy-6-nitro-9-(pyridin-4-ylmethyl)acridine;iodomethane is CCOc1ccc2nc3cc([N+](=O)[O-])ccc3c(Cc3ccncc3)c2c1.CI.
What is the InChIKey of 2-ethoxy-6-nitro-9-(pyridin-4-ylmethyl)acridine;iodomethane?
The InChIKey is GBMKZBJAPURDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3.CH3I/c1-2-27-16-4-6-20-19(13-16)18(11-14-7-9-22-10-8-14)17-5-3-15(24(25)26)12-21(17)23-20;1-2/h3-10,12-13H,2,11H2,1H3;1H3.
What are the key properties of 2-ethoxy-6-nitro-9-(pyridin-4-ylmethyl)acridine;iodomethane?
2-ethoxy-6-nitro-9-(pyridin-4-ylmethyl)acridine;iodomethane has a molecular weight of 501.32 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-nitro-9-(pyridin-4-ylmethyl)acridine;iodomethane is sourced from PubChem (CID 23621119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).