5-methoxy-2-nitro-10H-acridin-9-one

C14H10N2O4 — CID 623046

IUPAC5-methoxy-2-nitro-10H-acridin-9-one
SMILESCOc1cccc2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12
InChIInChI=1S/C14H10N2O4/c1-20-12-4-2-3-9-13(12)15-11-6-5-8(16(18)19)7-10(11)14(9)17/h2-7H,1H3,(H,15,17)
InChIKeyKHHMBBUEFPJINJ-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.60
Rot. Bonds2

About 5-methoxy-2-nitro-10H-acridin-9-one

5-methoxy-2-nitro-10H-acridin-9-one (PubChem CID 623046) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 5-methoxy-2-nitro-10H-acridin-9-one.

Molecular Properties

Compound Name5-methoxy-2-nitro-10H-acridin-9-one
PubChem CID623046
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name5-methoxy-2-nitro-10H-acridin-9-one
SMILESCOc1cccc2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12
InChIInChI=1S/C14H10N2O4/c1-20-12-4-2-3-9-13(12)15-11-6-5-8(16(18)19)7-10(11)14(9)17/h2-7H,1H3,(H,15,17)
InChIKeyKHHMBBUEFPJINJ-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 5-methoxy-2-nitro-10H-acridin-9-one?
The IUPAC name of 5-methoxy-2-nitro-10H-acridin-9-one (CID 623046) is 5-methoxy-2-nitro-10H-acridin-9-one.
What is the SMILES notation for 5-methoxy-2-nitro-10H-acridin-9-one?
The canonical SMILES for 5-methoxy-2-nitro-10H-acridin-9-one is COc1cccc2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12.
What is the InChIKey of 5-methoxy-2-nitro-10H-acridin-9-one?
The InChIKey is KHHMBBUEFPJINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c1-20-12-4-2-3-9-13(12)15-11-6-5-8(16(18)19)7-10(11)14(9)17/h2-7H,1H3,(H,15,17).
What are the key properties of 5-methoxy-2-nitro-10H-acridin-9-one?
5-methoxy-2-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 5-methoxy-2-nitro-10H-acridin-9-one is sourced from PubChem (CID 623046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).