10-benzyl-2-nitroacridin-9-one

C20H14N2O3 — CID 12751568

IUPAC10-benzyl-2-nitroacridin-9-one
SMILESO=c1c2ccccc2n(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C20H14N2O3/c23-20-16-8-4-5-9-18(16)21(13-14-6-2-1-3-7-14)19-11-10-15(22(24)25)12-17(19)20/h1-12H,13H2
InChIKeyXRPXWBUHHVWOFL-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.11
Rot. Bonds3

About 10-benzyl-2-nitroacridin-9-one

10-benzyl-2-nitroacridin-9-one (PubChem CID 12751568) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 10-benzyl-2-nitroacridin-9-one.

Molecular Properties

Compound Name10-benzyl-2-nitroacridin-9-one
PubChem CID12751568
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name10-benzyl-2-nitroacridin-9-one
SMILESO=c1c2ccccc2n(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C20H14N2O3/c23-20-16-8-4-5-9-18(16)21(13-14-6-2-1-3-7-14)19-11-10-15(22(24)25)12-17(19)20/h1-12H,13H2
InChIKeyXRPXWBUHHVWOFL-UHFFFAOYSA-N
XLogP4.11
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
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 10-benzyl-2-nitroacridin-9-one?
The IUPAC name of 10-benzyl-2-nitroacridin-9-one (CID 12751568) is 10-benzyl-2-nitroacridin-9-one.
What is the SMILES notation for 10-benzyl-2-nitroacridin-9-one?
The canonical SMILES for 10-benzyl-2-nitroacridin-9-one is O=c1c2ccccc2n(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 10-benzyl-2-nitroacridin-9-one?
The InChIKey is XRPXWBUHHVWOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-20-16-8-4-5-9-18(16)21(13-14-6-2-1-3-7-14)19-11-10-15(22(24)25)12-17(19)20/h1-12H,13H2.
What are the key properties of 10-benzyl-2-nitroacridin-9-one?
10-benzyl-2-nitroacridin-9-one has a molecular weight of 330.34 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-2-nitroacridin-9-one is sourced from PubChem (CID 12751568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).