8H-pyrido[2,3-h][1,4]benzoxazine

C11H8N2O — CID 21094332

IUPAC8H-pyrido[2,3-h][1,4]benzoxazine
SMILESC1=Cc2c3c(ccc2=NC1)=NC=CO3
InChIInChI=1S/C11H8N2O/c1-2-8-9(12-5-1)3-4-10-11(8)14-7-6-13-10/h1-4,6-7H,5H2
InChIKeyJOAXUKMSFADSLV-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.82
Rot. Bonds

About 8H-pyrido[2,3-h][1,4]benzoxazine

8H-pyrido[2,3-h][1,4]benzoxazine (PubChem CID 21094332) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 8H-pyrido[2,3-h][1,4]benzoxazine.

Molecular Properties

Compound Name8H-pyrido[2,3-h][1,4]benzoxazine
PubChem CID21094332
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name8H-pyrido[2,3-h][1,4]benzoxazine
SMILESC1=Cc2c3c(ccc2=NC1)=NC=CO3
InChIInChI=1S/C11H8N2O/c1-2-8-9(12-5-1)3-4-10-11(8)14-7-6-13-10/h1-4,6-7H,5H2
InChIKeyJOAXUKMSFADSLV-UHFFFAOYSA-N
XLogP0.82
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 8H-pyrido[2,3-h][1,4]benzoxazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8H-pyrido[2,3-h][1,4]benzoxazine?
The IUPAC name of 8H-pyrido[2,3-h][1,4]benzoxazine (CID 21094332) is 8H-pyrido[2,3-h][1,4]benzoxazine.
What is the SMILES notation for 8H-pyrido[2,3-h][1,4]benzoxazine?
The canonical SMILES for 8H-pyrido[2,3-h][1,4]benzoxazine is C1=Cc2c3c(ccc2=NC1)=NC=CO3.
What is the InChIKey of 8H-pyrido[2,3-h][1,4]benzoxazine?
The InChIKey is JOAXUKMSFADSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-2-8-9(12-5-1)3-4-10-11(8)14-7-6-13-10/h1-4,6-7H,5H2.
What are the key properties of 8H-pyrido[2,3-h][1,4]benzoxazine?
8H-pyrido[2,3-h][1,4]benzoxazine has a molecular weight of 184.20 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-pyrido[2,3-h][1,4]benzoxazine is sourced from PubChem (CID 21094332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).