9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one

C15H10N2O5 — CID 11695086

IUPAC9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one
SMILESO=c1c2cc([N+](=O)[O-])ccc2[nH]c2cc3c(cc12)OCCO3
InChIInChI=1S/C15H10N2O5/c18-15-9-5-8(17(19)20)1-2-11(9)16-12-7-14-13(6-10(12)15)21-3-4-22-14/h1-2,5-7H,3-4H2,(H,16,18)
InChIKeyUQOMZWUHMNWIMG-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.36
Rot. Bonds1

About 9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one

9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one (PubChem CID 11695086) has the molecular formula C15H10N2O5 and a molecular weight of 298.25 g/mol. Its IUPAC name is 9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one.

Molecular Properties

Compound Name9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one
PubChem CID11695086
Molecular FormulaC15H10N2O5
Molecular Weight298.25 g/mol
Exact Mass298.06
IUPAC Name9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one
SMILESO=c1c2cc([N+](=O)[O-])ccc2[nH]c2cc3c(cc12)OCCO3
InChIInChI=1S/C15H10N2O5/c18-15-9-5-8(17(19)20)1-2-11(9)16-12-7-14-13(6-10(12)15)21-3-4-22-14/h1-2,5-7H,3-4H2,(H,16,18)
InChIKeyUQOMZWUHMNWIMG-UHFFFAOYSA-N
XLogP2.36
TPSA94.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 6324703
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2-nitro-7-phenylmethoxy-10H-acridin-9-one
CID 66572851
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Frequently Asked Questions

What is the IUPAC name of 9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one?
The IUPAC name of 9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one (CID 11695086) is 9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one.
What is the SMILES notation for 9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one?
The canonical SMILES for 9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one is O=c1c2cc([N+](=O)[O-])ccc2[nH]c2cc3c(cc12)OCCO3.
What is the InChIKey of 9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one?
The InChIKey is UQOMZWUHMNWIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O5/c18-15-9-5-8(17(19)20)1-2-11(9)16-12-7-14-13(6-10(12)15)21-3-4-22-14/h1-2,5-7H,3-4H2,(H,16,18).
What are the key properties of 9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one?
9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one has a molecular weight of 298.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one is sourced from PubChem (CID 11695086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).