3-(1,4-benzodioxin-3-yl)-4H-pyrido[3,2-b][1,4]oxazine

C15H10N2O3 — CID 141087909

IUPAC3-(1,4-benzodioxin-3-yl)-4H-pyrido[3,2-b][1,4]oxazine
SMILESC1=C(C2=COc3ccccc3O2)Nc2ncccc2O1
InChIInChI=1S/C15H10N2O3/c1-2-5-12-11(4-1)19-9-14(20-12)10-8-18-13-6-3-7-16-15(13)17-10/h1-9H,(H,16,17)
InChIKeyQIOUOSNQJWYHPC-UHFFFAOYSA-N
MW266.26 g/mol
LogP3.04
Rot. Bonds1

About 3-(1,4-benzodioxin-3-yl)-4H-pyrido[3,2-b][1,4]oxazine

3-(1,4-benzodioxin-3-yl)-4H-pyrido[3,2-b][1,4]oxazine (PubChem CID 141087909) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-(1,4-benzodioxin-3-yl)-4H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name3-(1,4-benzodioxin-3-yl)-4H-pyrido[3,2-b][1,4]oxazine
PubChem CID141087909
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name3-(1,4-benzodioxin-3-yl)-4H-pyrido[3,2-b][1,4]oxazine
SMILESC1=C(C2=COc3ccccc3O2)Nc2ncccc2O1
InChIInChI=1S/C15H10N2O3/c1-2-5-12-11(4-1)19-9-14(20-12)10-8-18-13-6-3-7-16-15(13)17-10/h1-9H,(H,16,17)
InChIKeyQIOUOSNQJWYHPC-UHFFFAOYSA-N
XLogP3.04
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1,4-benzodioxin-3-yl)-4H-pyrido[3,2-b][1,4]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3H-dioxazolo[4,5-b]pyridine
CID 141204226
2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 91884397
3-(4-nitrophenyl)-1,4-benzodioxine
CID 2320216
3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid
CID 22036235
4H-pyrido[3,2-b][1,4]oxazine-3-thione
CID 91621570
2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990407
2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 13087443
1,4-benzodioxin-3-amine
CID 69264679
2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990341
2-(2-chloroethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 3644169
tert-butyl 3,5-bis(1,4-benzodioxin-3-yl)-1,4-oxazine-4-carboxylate
CID 16733219
2-(thiophen-2-ylmethylidene)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 123881056

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-benzodioxin-3-yl)-4H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 3-(1,4-benzodioxin-3-yl)-4H-pyrido[3,2-b][1,4]oxazine (CID 141087909) is 3-(1,4-benzodioxin-3-yl)-4H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 3-(1,4-benzodioxin-3-yl)-4H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 3-(1,4-benzodioxin-3-yl)-4H-pyrido[3,2-b][1,4]oxazine is C1=C(C2=COc3ccccc3O2)Nc2ncccc2O1.
What is the InChIKey of 3-(1,4-benzodioxin-3-yl)-4H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is QIOUOSNQJWYHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c1-2-5-12-11(4-1)19-9-14(20-12)10-8-18-13-6-3-7-16-15(13)17-10/h1-9H,(H,16,17).
What are the key properties of 3-(1,4-benzodioxin-3-yl)-4H-pyrido[3,2-b][1,4]oxazine?
3-(1,4-benzodioxin-3-yl)-4H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 266.26 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-benzodioxin-3-yl)-4H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 141087909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).