Nitracrine

C₁₈H₂₀N₄O₂ — CID 20628

About Nitracrine

Nitracrine (PubChem CID 20628) has the molecular formula C₁₈H₂₀N₄O₂ and a molecular weight of 324.38 g/mol. Its IUPAC name is N',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine.

Molecular Properties

• Compound Name: Nitracrine
• PubChem CID: 20628
• Molecular Formula: C₁₈H₂₀N₄O₂
• Molecular Weight: 324.38 g/mol
• Exact Mass: 324.16
• IUPAC Name: N',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine
• SMILES: CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12
• InChI: InChI=1S/C18H20N4O2/c1-21(2)12-6-11-19-18-13-7-3-4-8-14(13)20-15-9-5-10-16(17(15)18)22(23)24/h3-5,7-10H,6,11-12H2,1-2H3,(H,19,20)
• InChIKey: YMVWGSQGCWCDGW-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 71.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.38
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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'}

Frequently Asked Questions

What is the IUPAC name of Nitracrine?

The IUPAC name of Nitracrine (CID 20628) is N',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine.

What is the SMILES notation for Nitracrine?

The canonical SMILES for Nitracrine is CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.

What is the InChIKey of Nitracrine?

The InChIKey is YMVWGSQGCWCDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-21(2)12-6-11-19-18-13-7-3-4-8-14(13)20-15-9-5-10-16(17(15)18)22(23)24/h3-5,7-10H,6,11-12H2,1-2H3,(H,19,20).

What are the key properties of Nitracrine?

Nitracrine has a molecular weight of 324.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Nitracrine is sourced from PubChem (CID 20628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 20628 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3386 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.