4-methoxy-5-nitro-10H-acridin-9-one

C14H10N2O4 — CID 101038751

IUPAC4-methoxy-5-nitro-10H-acridin-9-one
SMILESCOc1cccc2c(=O)c3cccc([N+](=O)[O-])c3[nH]c12
InChIInChI=1S/C14H10N2O4/c1-20-11-7-3-5-9-13(11)15-12-8(14(9)17)4-2-6-10(12)16(18)19/h2-7H,1H3,(H,15,17)
InChIKeyQQXKGQSXEHMBBX-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.60
Rot. Bonds2

About 4-methoxy-5-nitro-10H-acridin-9-one

4-methoxy-5-nitro-10H-acridin-9-one (PubChem CID 101038751) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 4-methoxy-5-nitro-10H-acridin-9-one.

Molecular Properties

Compound Name4-methoxy-5-nitro-10H-acridin-9-one
PubChem CID101038751
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name4-methoxy-5-nitro-10H-acridin-9-one
SMILESCOc1cccc2c(=O)c3cccc([N+](=O)[O-])c3[nH]c12
InChIInChI=1S/C14H10N2O4/c1-20-11-7-3-5-9-13(11)15-12-8(14(9)17)4-2-6-10(12)16(18)19/h2-7H,1H3,(H,15,17)
InChIKeyQQXKGQSXEHMBBX-UHFFFAOYSA-N
XLogP2.60
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 4-methoxy-5-nitro-10H-acridin-9-one?
The IUPAC name of 4-methoxy-5-nitro-10H-acridin-9-one (CID 101038751) is 4-methoxy-5-nitro-10H-acridin-9-one.
What is the SMILES notation for 4-methoxy-5-nitro-10H-acridin-9-one?
The canonical SMILES for 4-methoxy-5-nitro-10H-acridin-9-one is COc1cccc2c(=O)c3cccc([N+](=O)[O-])c3[nH]c12.
What is the InChIKey of 4-methoxy-5-nitro-10H-acridin-9-one?
The InChIKey is QQXKGQSXEHMBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c1-20-11-7-3-5-9-13(11)15-12-8(14(9)17)4-2-6-10(12)16(18)19/h2-7H,1H3,(H,15,17).
What are the key properties of 4-methoxy-5-nitro-10H-acridin-9-one?
4-methoxy-5-nitro-10H-acridin-9-one has a molecular weight of 270.24 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-nitro-10H-acridin-9-one is sourced from PubChem (CID 101038751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).