5-oxopyrido[3,2-a]phenoxazine-10-carbonitrile

C16H7N3O2 — CID 11780690

IUPAC5-oxopyrido[3,2-a]phenoxazine-10-carbonitrile
SMILESN#Cc1ccc2oc3cc(=O)c4ncccc4c-3nc2c1
InChIInChI=1S/C16H7N3O2/c17-8-9-3-4-13-11(6-9)19-16-10-2-1-5-18-15(10)12(20)7-14(16)21-13/h1-7H
InChIKeyJWYRBLIPGDRTJY-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.71
Rot. Bonds

About 5-oxopyrido[3,2-a]phenoxazine-10-carbonitrile

5-oxopyrido[3,2-a]phenoxazine-10-carbonitrile (PubChem CID 11780690) has the molecular formula C16H7N3O2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 5-oxopyrido[3,2-a]phenoxazine-10-carbonitrile.

Molecular Properties

Compound Name5-oxopyrido[3,2-a]phenoxazine-10-carbonitrile
PubChem CID11780690
Molecular FormulaC16H7N3O2
Molecular Weight273.25 g/mol
Exact Mass273.05
IUPAC Name5-oxopyrido[3,2-a]phenoxazine-10-carbonitrile
SMILESN#Cc1ccc2oc3cc(=O)c4ncccc4c-3nc2c1
InChIInChI=1S/C16H7N3O2/c17-8-9-3-4-13-11(6-9)19-16-10-2-1-5-18-15(10)12(20)7-14(16)21-13/h1-7H
InChIKeyJWYRBLIPGDRTJY-UHFFFAOYSA-N
XLogP2.71
TPSA79.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

5H-Pyrido(3,2-a)phenoxazin-5-one
CID 10106046
[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenyl] pyridine-2-carboxylate
CID 2312658
10-Nitropyrido[3,2-a]phenoxazin-5-one
CID 10334563
13-Oxa-2,8-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),5,7,11,15,17,19,21-decaen-10-one
CID 11849304
9,11-Dimethylpyrido[3,2-a]phenoxazin-5-one
CID 11849336
1-Aza-5h-benzo[a]phenoxazin-5-one
CID 21791870
[4-(2,2-Dicyanoethenyl)phenyl] pyridine-2-carboxylate
CID 2312290
[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl] pyridine-2-carboxylate
CID 6521139
9-Methylpyrido[3,2-a]phenoxazin-5-one
CID 10923332
11-Methylpyrido[3,2-a]phenoxazin-5-one
CID 11010774
11-Nitropyrido[3,2-a]phenoxazin-5-one
CID 11011818
8-Methylpyrido[3,2-a]phenoxazin-5-one
CID 11108128

Frequently Asked Questions

What is the IUPAC name of 5-oxopyrido[3,2-a]phenoxazine-10-carbonitrile?
The IUPAC name of 5-oxopyrido[3,2-a]phenoxazine-10-carbonitrile (CID 11780690) is 5-oxopyrido[3,2-a]phenoxazine-10-carbonitrile.
What is the SMILES notation for 5-oxopyrido[3,2-a]phenoxazine-10-carbonitrile?
The canonical SMILES for 5-oxopyrido[3,2-a]phenoxazine-10-carbonitrile is N#Cc1ccc2oc3cc(=O)c4ncccc4c-3nc2c1.
What is the InChIKey of 5-oxopyrido[3,2-a]phenoxazine-10-carbonitrile?
The InChIKey is JWYRBLIPGDRTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7N3O2/c17-8-9-3-4-13-11(6-9)19-16-10-2-1-5-18-15(10)12(20)7-14(16)21-13/h1-7H.
What are the key properties of 5-oxopyrido[3,2-a]phenoxazine-10-carbonitrile?
5-oxopyrido[3,2-a]phenoxazine-10-carbonitrile has a molecular weight of 273.25 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxopyrido[3,2-a]phenoxazine-10-carbonitrile is sourced from PubChem (CID 11780690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).