11-nitropyrido[3,2-a]phenoxazin-5-one

C15H7N3O4 — CID 11011818

IUPAC11-nitropyrido[3,2-a]phenoxazin-5-one
SMILESO=c1cc2oc3cccc([N+](=O)[O-])c3nc-2c2cccnc12
InChIInChI=1S/C15H7N3O4/c19-10-7-12-14(8-3-2-6-16-13(8)10)17-15-9(18(20)21)4-1-5-11(15)22-12/h1-7H
InChIKeyWYDQMMKPTIOTBC-UHFFFAOYSA-N
MW293.24 g/mol
LogP2.75
Rot. Bonds1

About 11-nitropyrido[3,2-a]phenoxazin-5-one

11-nitropyrido[3,2-a]phenoxazin-5-one (PubChem CID 11011818) has the molecular formula C15H7N3O4 and a molecular weight of 293.24 g/mol. Its IUPAC name is 11-nitropyrido[3,2-a]phenoxazin-5-one.

Molecular Properties

Compound Name11-nitropyrido[3,2-a]phenoxazin-5-one
PubChem CID11011818
Molecular FormulaC15H7N3O4
Molecular Weight293.24 g/mol
Exact Mass293.04
IUPAC Name11-nitropyrido[3,2-a]phenoxazin-5-one
SMILESO=c1cc2oc3cccc([N+](=O)[O-])c3nc-2c2cccnc12
InChIInChI=1S/C15H7N3O4/c19-10-7-12-14(8-3-2-6-16-13(8)10)17-15-9(18(20)21)4-1-5-11(15)22-12/h1-7H
InChIKeyWYDQMMKPTIOTBC-UHFFFAOYSA-N
XLogP2.75
TPSA99.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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8-methyl-5,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,14,17,19,21-nonaene-6,16-dione
CID 11724094
11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene
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CID 126516707
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CID 75480915

Frequently Asked Questions

What is the IUPAC name of 11-nitropyrido[3,2-a]phenoxazin-5-one?
The IUPAC name of 11-nitropyrido[3,2-a]phenoxazin-5-one (CID 11011818) is 11-nitropyrido[3,2-a]phenoxazin-5-one.
What is the SMILES notation for 11-nitropyrido[3,2-a]phenoxazin-5-one?
The canonical SMILES for 11-nitropyrido[3,2-a]phenoxazin-5-one is O=c1cc2oc3cccc([N+](=O)[O-])c3nc-2c2cccnc12.
What is the InChIKey of 11-nitropyrido[3,2-a]phenoxazin-5-one?
The InChIKey is WYDQMMKPTIOTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7N3O4/c19-10-7-12-14(8-3-2-6-16-13(8)10)17-15-9(18(20)21)4-1-5-11(15)22-12/h1-7H.
What are the key properties of 11-nitropyrido[3,2-a]phenoxazin-5-one?
11-nitropyrido[3,2-a]phenoxazin-5-one has a molecular weight of 293.24 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-nitropyrido[3,2-a]phenoxazin-5-one is sourced from PubChem (CID 11011818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).