2-ethoxy-6-nitroacridin-9-amine

C15H13N3O3 — CID 30102

IUPAC2-ethoxy-6-nitroacridin-9-amine
SMILESCCOc1ccc2nc3cc([N+](=O)[O-])ccc3c(N)c2c1
InChIInChI=1S/C15H13N3O3/c1-2-21-10-4-6-13-12(8-10)15(16)11-5-3-9(18(19)20)7-14(11)17-13/h3-8H,2H2,1H3,(H2,16,17)
InChIKeyNDKYICANXPTKKC-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.28
Rot. Bonds3

About 2-ethoxy-6-nitroacridin-9-amine

2-ethoxy-6-nitroacridin-9-amine (PubChem CID 30102) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-ethoxy-6-nitroacridin-9-amine.

Molecular Properties

Compound Name2-ethoxy-6-nitroacridin-9-amine
PubChem CID30102
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-ethoxy-6-nitroacridin-9-amine
SMILESCCOc1ccc2nc3cc([N+](=O)[O-])ccc3c(N)c2c1
InChIInChI=1S/C15H13N3O3/c1-2-21-10-4-6-13-12(8-10)15(16)11-5-3-9(18(19)20)7-14(11)17-13/h3-8H,2H2,1H3,(H2,16,17)
InChIKeyNDKYICANXPTKKC-UHFFFAOYSA-N
XLogP3.28
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', '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'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-nitroacridin-9-amine?
The IUPAC name of 2-ethoxy-6-nitroacridin-9-amine (CID 30102) is 2-ethoxy-6-nitroacridin-9-amine.
What is the SMILES notation for 2-ethoxy-6-nitroacridin-9-amine?
The canonical SMILES for 2-ethoxy-6-nitroacridin-9-amine is CCOc1ccc2nc3cc([N+](=O)[O-])ccc3c(N)c2c1.
What is the InChIKey of 2-ethoxy-6-nitroacridin-9-amine?
The InChIKey is NDKYICANXPTKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-2-21-10-4-6-13-12(8-10)15(16)11-5-3-9(18(19)20)7-14(11)17-13/h3-8H,2H2,1H3,(H2,16,17).
What are the key properties of 2-ethoxy-6-nitroacridin-9-amine?
2-ethoxy-6-nitroacridin-9-amine has a molecular weight of 283.29 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-nitroacridin-9-amine is sourced from PubChem (CID 30102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).