2-nitro-7-phenylmethoxy-2H-acridin-1-one

C20H14N2O4 — CID 141457475

IUPAC2-nitro-7-phenylmethoxy-2H-acridin-1-one
SMILESO=C1c2cc3cc(OCc4ccccc4)ccc3nc2C=CC1[N+](=O)[O-]
InChIInChI=1S/C20H14N2O4/c23-20-16-11-14-10-15(26-12-13-4-2-1-3-5-13)6-7-17(14)21-18(16)8-9-19(20)22(24)25/h1-11,19H,12H2
InChIKeyVVDLJVJSFIKZPZ-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.67
Rot. Bonds4

About 2-nitro-7-phenylmethoxy-2H-acridin-1-one

2-nitro-7-phenylmethoxy-2H-acridin-1-one (PubChem CID 141457475) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-nitro-7-phenylmethoxy-2H-acridin-1-one.

Molecular Properties

Compound Name2-nitro-7-phenylmethoxy-2H-acridin-1-one
PubChem CID141457475
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Name2-nitro-7-phenylmethoxy-2H-acridin-1-one
SMILESO=C1c2cc3cc(OCc4ccccc4)ccc3nc2C=CC1[N+](=O)[O-]
InChIInChI=1S/C20H14N2O4/c23-20-16-11-14-10-15(26-12-13-4-2-1-3-5-13)6-7-17(14)21-18(16)8-9-19(20)22(24)25/h1-11,19H,12H2
InChIKeyVVDLJVJSFIKZPZ-UHFFFAOYSA-N
XLogP3.67
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
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3-[(3-nitrophenyl)methoxy]acridine-9-carboxylic acid
CID 22114771
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Frequently Asked Questions

What is the IUPAC name of 2-nitro-7-phenylmethoxy-2H-acridin-1-one?
The IUPAC name of 2-nitro-7-phenylmethoxy-2H-acridin-1-one (CID 141457475) is 2-nitro-7-phenylmethoxy-2H-acridin-1-one.
What is the SMILES notation for 2-nitro-7-phenylmethoxy-2H-acridin-1-one?
The canonical SMILES for 2-nitro-7-phenylmethoxy-2H-acridin-1-one is O=C1c2cc3cc(OCc4ccccc4)ccc3nc2C=CC1[N+](=O)[O-].
What is the InChIKey of 2-nitro-7-phenylmethoxy-2H-acridin-1-one?
The InChIKey is VVDLJVJSFIKZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c23-20-16-11-14-10-15(26-12-13-4-2-1-3-5-13)6-7-17(14)21-18(16)8-9-19(20)22(24)25/h1-11,19H,12H2.
What are the key properties of 2-nitro-7-phenylmethoxy-2H-acridin-1-one?
2-nitro-7-phenylmethoxy-2H-acridin-1-one has a molecular weight of 346.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-7-phenylmethoxy-2H-acridin-1-one is sourced from PubChem (CID 141457475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).