pyrido[4,3-f][1,4]oxazepine

C8H6N2O — CID 70352811

IUPACpyrido[4,3-f][1,4]oxazepine
SMILESC1=COc2cnccc2C=N1
InChIInChI=1S/C8H6N2O/c1-2-9-6-8-7(1)5-10-3-4-11-8/h1-6H
InChIKeyKTSOHMXHVGZAPO-UHFFFAOYSA-N
MW146.15 g/mol
LogP1.36
Rot. Bonds

About pyrido[4,3-f][1,4]oxazepine

pyrido[4,3-f][1,4]oxazepine (PubChem CID 70352811) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is pyrido[4,3-f][1,4]oxazepine.

Molecular Properties

Compound Namepyrido[4,3-f][1,4]oxazepine
PubChem CID70352811
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Namepyrido[4,3-f][1,4]oxazepine
SMILESC1=COc2cnccc2C=N1
InChIInChI=1S/C8H6N2O/c1-2-9-6-8-7(1)5-10-3-4-11-8/h1-6H
InChIKeyKTSOHMXHVGZAPO-UHFFFAOYSA-N
XLogP1.36
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 153445903
CID 153445903
[1,2]dioxino[4,3-c]pyridine
CID 57348888
spiro[adamantane-2,2'-pyrano[2,3-c]pyridine]
CID 54133864
oxathiino[3,4-c]pyridine
CID 59512235
pyrido[3,4-c][1,2,6]oxathiazine
CID 59512441
1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine
CID 58996089
3-methyl-4H-pyrano[2,3-c]pyridine
CID 123693196
2,2-dimethylpyrano[3,2-c]pyridine
CID 14117126
3-(methylamino)furo[3,2-c]pyridine-2-carbaldehyde
CID 142922433
(3Z)-2-methylidene-7H-pyrido[4,3-h][1,5]oxazonine
CID 134590825
pyridin-4-ylhydrazine;hydrochloride
CID 22320258
thiepino[4,5-c]pyridine
CID 21315519

Frequently Asked Questions

What is the IUPAC name of pyrido[4,3-f][1,4]oxazepine?
The IUPAC name of pyrido[4,3-f][1,4]oxazepine (CID 70352811) is pyrido[4,3-f][1,4]oxazepine.
What is the SMILES notation for pyrido[4,3-f][1,4]oxazepine?
The canonical SMILES for pyrido[4,3-f][1,4]oxazepine is C1=COc2cnccc2C=N1.
What is the InChIKey of pyrido[4,3-f][1,4]oxazepine?
The InChIKey is KTSOHMXHVGZAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c1-2-9-6-8-7(1)5-10-3-4-11-8/h1-6H.
What are the key properties of pyrido[4,3-f][1,4]oxazepine?
pyrido[4,3-f][1,4]oxazepine has a molecular weight of 146.15 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[4,3-f][1,4]oxazepine is sourced from PubChem (CID 70352811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).