9,11-dimethylpyrido[3,2-a]phenoxazin-5-one

C17H12N2O2 — CID 11849336

IUPAC9,11-dimethylpyrido[3,2-a]phenoxazin-5-one
SMILESCc1cc(C)c2nc3c4cccnc4c(=O)cc-3oc2c1
InChIInChI=1S/C17H12N2O2/c1-9-6-10(2)15-13(7-9)21-14-8-12(20)16-11(17(14)19-15)4-3-5-18-16/h3-8H,1-2H3
InChIKeyNWZSHWHYTOKXKE-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.46
Rot. Bonds

About 9,11-dimethylpyrido[3,2-a]phenoxazin-5-one

9,11-dimethylpyrido[3,2-a]phenoxazin-5-one (PubChem CID 11849336) has the molecular formula C17H12N2O2 and a molecular weight of 276.29 g/mol. Its IUPAC name is 9,11-dimethylpyrido[3,2-a]phenoxazin-5-one.

Molecular Properties

Compound Name9,11-dimethylpyrido[3,2-a]phenoxazin-5-one
PubChem CID11849336
Molecular FormulaC17H12N2O2
Molecular Weight276.29 g/mol
Exact Mass276.09
IUPAC Name9,11-dimethylpyrido[3,2-a]phenoxazin-5-one
SMILESCc1cc(C)c2nc3c4cccnc4c(=O)cc-3oc2c1
InChIInChI=1S/C17H12N2O2/c1-9-6-10(2)15-13(7-9)21-14-8-12(20)16-11(17(14)19-15)4-3-5-18-16/h3-8H,1-2H3
InChIKeyNWZSHWHYTOKXKE-UHFFFAOYSA-N
XLogP3.46
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,11-dimethylpyrido[3,2-a]phenoxazin-5-one?
The IUPAC name of 9,11-dimethylpyrido[3,2-a]phenoxazin-5-one (CID 11849336) is 9,11-dimethylpyrido[3,2-a]phenoxazin-5-one.
What is the SMILES notation for 9,11-dimethylpyrido[3,2-a]phenoxazin-5-one?
The canonical SMILES for 9,11-dimethylpyrido[3,2-a]phenoxazin-5-one is Cc1cc(C)c2nc3c4cccnc4c(=O)cc-3oc2c1.
What is the InChIKey of 9,11-dimethylpyrido[3,2-a]phenoxazin-5-one?
The InChIKey is NWZSHWHYTOKXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-9-6-10(2)15-13(7-9)21-14-8-12(20)16-11(17(14)19-15)4-3-5-18-16/h3-8H,1-2H3.
What are the key properties of 9,11-dimethylpyrido[3,2-a]phenoxazin-5-one?
9,11-dimethylpyrido[3,2-a]phenoxazin-5-one has a molecular weight of 276.29 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-dimethylpyrido[3,2-a]phenoxazin-5-one is sourced from PubChem (CID 11849336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).